New Application Center Additions
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en-us2022 Maplesoft, A Division of Waterloo Maple Inc.Maplesoft Document SystemMon, 24 Jan 2022 13:08:21 GMTMon, 24 Jan 2022 13:08:21 GMTThe latest content added to the Application Centerhttps://www.maplesoft.com/images/Application_center_hp.jpgNew Application Center Additions
https://www.maplesoft.com/applications
The Orbit of Kepler 16b
https://www.maplesoft.com/applications/view.aspx?SID=126766&ref=Feed
NASA's Kepler space telescope recently made the news by finding a planet that orbits a double-star system, a situation that brought to mind the fictional planet Tatooine of the movie Star Wars. On such a planet, if it had a solid surface, you could see a double sunset.
This worksheet explores the orbital mechanics of such a system.<img src="https://www.maplesoft.com/view.aspx?si=126766/kepler16b.png" alt="The Orbit of Kepler 16b" style="max-width: 25%;" align="left"/>NASA's Kepler space telescope recently made the news by finding a planet that orbits a double-star system, a situation that brought to mind the fictional planet Tatooine of the movie Star Wars. On such a planet, if it had a solid surface, you could see a double sunset.
This worksheet explores the orbital mechanics of such a system.https://www.maplesoft.com/applications/view.aspx?SID=126766&ref=FeedWed, 05 Jan 2022 05:00:00 ZRobert IsraelRobert IsraelMaplet de sudoku (version 2)
https://www.maplesoft.com/applications/view.aspx?SID=154657&ref=Feed
Cette maplet de sudoku est une mise à jour de la maplet "sudoku2"
-possibilité de jouer,de générer,de résoudre les sudokus
-possibilité de sauvegarder en .txt
on peut ré-enregistrer à partir du bloc-note dans le format adéquate (.sdk pour la sauvegarde Vokware et .sdm pour celle isanaki ou peter stancel)
on peut ainsi exporter les grilles sur Android (sudokuwiki,Andoku3,Sudoku Peter Stancel,OpenSudoku,Sudoku Pro Classic) ou iOS (sudoktor).
-possibilité de sauvegarder en image .gif et en version sudoku avec couleurs.
-nouvelle fonction: possibilité d'importer des sudokus au format ligne,des fichiers .sdk et des fichiers collection .sdm<img src="https://www.maplesoft.com/view.aspx?si=154657/Captsud2b.JPG" alt="Maplet de sudoku (version 2)" style="max-width: 25%;" align="left"/>Cette maplet de sudoku est une mise à jour de la maplet "sudoku2"
-possibilité de jouer,de générer,de résoudre les sudokus
-possibilité de sauvegarder en .txt
on peut ré-enregistrer à partir du bloc-note dans le format adéquate (.sdk pour la sauvegarde Vokware et .sdm pour celle isanaki ou peter stancel)
on peut ainsi exporter les grilles sur Android (sudokuwiki,Andoku3,Sudoku Peter Stancel,OpenSudoku,Sudoku Pro Classic) ou iOS (sudoktor).
-possibilité de sauvegarder en image .gif et en version sudoku avec couleurs.
-nouvelle fonction: possibilité d'importer des sudokus au format ligne,des fichiers .sdk et des fichiers collection .sdmhttps://www.maplesoft.com/applications/view.aspx?SID=154657&ref=FeedThu, 11 Nov 2021 05:00:00 Zxavier cormierxavier cormierElectric Potential Near a Lightning Rod
https://www.maplesoft.com/applications/view.aspx?SID=154790&ref=Feed
The electric field around a narrow conical point can be very high, and such a behavior is the reason for the effectiveness of lightning rods. We use Maple's LegendreP function to visualize the electric potential near a lightning rod.<img src="https://www.maplesoft.com/view.aspx?si=154790/lightning.png" alt="Electric Potential Near a Lightning Rod" style="max-width: 25%;" align="left"/>The electric field around a narrow conical point can be very high, and such a behavior is the reason for the effectiveness of lightning rods. We use Maple's LegendreP function to visualize the electric potential near a lightning rod.https://www.maplesoft.com/applications/view.aspx?SID=154790&ref=FeedWed, 10 Nov 2021 05:00:00 ZFrank WangFrank WangStepwise precession of a double elastic-spherical pendulum
https://www.maplesoft.com/applications/view.aspx?SID=154789&ref=Feed
The physical effect known as stepwise precession is a surprising fact that takes place in the movement of an elastic pendulum. When this pendulum is initially set near the downward equilibrium vertical configuration, with the length of the spring stretched by the gravity force, there is a chance to move in such a way that the springing vibrational mode of movement and the rotational "swing" mode interchange periodically their respective energies, with a periodic change of the swing plane and stepwise precession. We simulate here numerically the same dynamical behaviour for the natural extension of a double elastic-spherical pendulum.<img src="https://www.maplesoft.com/view.aspx?si=154789/stepwise_precesion_2.png" alt="Stepwise precession of a double elastic-spherical pendulum" style="max-width: 25%;" align="left"/>The physical effect known as stepwise precession is a surprising fact that takes place in the movement of an elastic pendulum. When this pendulum is initially set near the downward equilibrium vertical configuration, with the length of the spring stretched by the gravity force, there is a chance to move in such a way that the springing vibrational mode of movement and the rotational "swing" mode interchange periodically their respective energies, with a periodic change of the swing plane and stepwise precession. We simulate here numerically the same dynamical behaviour for the natural extension of a double elastic-spherical pendulum.https://www.maplesoft.com/applications/view.aspx?SID=154789&ref=FeedFri, 08 Oct 2021 04:00:00 ZLuis Sainz de los TerrerosLuis Sainz de los TerrerosRelaciones entre los elementos de un polígono hiperbólico
https://www.maplesoft.com/applications/view.aspx?SID=154781&ref=Feed
In the present worksheet is shown a procedure to obtain the relations for the sides and angles of a hyperbolic polygon, no matter its number of sides. The study consists of two parts, the first for polygons in general and the second for right-angled polygons in particular.
The results can be applied, for instance, to the construction of hyperbolic polygons. For that, the required number of data is 2p-3, p being the number of the sides of the polygon.<img src="https://www.maplesoft.com/view.aspx?si=154781/FormPolHip.png" alt="Relaciones entre los elementos de un polígono hiperbólico" style="max-width: 25%;" align="left"/>In the present worksheet is shown a procedure to obtain the relations for the sides and angles of a hyperbolic polygon, no matter its number of sides. The study consists of two parts, the first for polygons in general and the second for right-angled polygons in particular.
The results can be applied, for instance, to the construction of hyperbolic polygons. For that, the required number of data is 2p-3, p being the number of the sides of the polygon.https://www.maplesoft.com/applications/view.aspx?SID=154781&ref=FeedWed, 29 Sep 2021 04:00:00 ZProf. jose luis herasProf. jose luis herasPolígonos hiperbólicos rectángulos regulares convexos y estrellados. Relaciones y representación
https://www.maplesoft.com/applications/view.aspx?SID=154785&ref=Feed
The worksheet shows a procedure for the representation in de Poincaré disc of regular right-angled, convex and star hyperbolic polygons.<img src="https://www.maplesoft.com/view.aspx?si=154785/PolRegRect.png" alt="Polígonos hiperbólicos rectángulos regulares convexos y estrellados. Relaciones y representación" style="max-width: 25%;" align="left"/>The worksheet shows a procedure for the representation in de Poincaré disc of regular right-angled, convex and star hyperbolic polygons.https://www.maplesoft.com/applications/view.aspx?SID=154785&ref=FeedSat, 25 Sep 2021 04:00:00 ZProf. jose luis herasProf. jose luis herasResolución y construcción de polígonos hiperbólicos convexos y autointersectantes
https://www.maplesoft.com/applications/view.aspx?SID=154786&ref=Feed
The worksheet shows a procedure for the resolution and construction of convex and self-intersecting hyperbolic polygons, given 2p-3 data of the sides and angles of the polygon.<img src="https://www.maplesoft.com/view.aspx?si=154786/ConsPolHip.png" alt="Resolución y construcción de polígonos hiperbólicos convexos y autointersectantes" style="max-width: 25%;" align="left"/>The worksheet shows a procedure for the resolution and construction of convex and self-intersecting hyperbolic polygons, given 2p-3 data of the sides and angles of the polygon.https://www.maplesoft.com/applications/view.aspx?SID=154786&ref=FeedSat, 25 Sep 2021 04:00:00 ZProf. jose luis herasProf. jose luis herasResolución y construcción de polígonos hiperbólicos rectángulos convexos
https://www.maplesoft.com/applications/view.aspx?SID=154787&ref=Feed
The worksheet shows a procedure for the resolution and construction of convex right-angled hyperbolic polygons, given p-3 sides of the polygon.<img src="https://www.maplesoft.com/view.aspx?si=154787/ConsPolHipRect.png" alt="Resolución y construcción de polígonos hiperbólicos rectángulos convexos" style="max-width: 25%;" align="left"/>The worksheet shows a procedure for the resolution and construction of convex right-angled hyperbolic polygons, given p-3 sides of the polygon.https://www.maplesoft.com/applications/view.aspx?SID=154787&ref=FeedThu, 23 Sep 2021 04:00:00 ZProf. jose luis herasProf. jose luis herasPolígonos hiperbólicos regulares convexos y estrellados. Relaciones y representación
https://www.maplesoft.com/applications/view.aspx?SID=154784&ref=Feed
The worksheet shows a procedure for the representation in de Poincaré disc of convex and self-intersecting regular hyperbolic polygons.<img src="https://www.maplesoft.com/view.aspx?si=154784/PolReg.png" alt="Polígonos hiperbólicos regulares convexos y estrellados. Relaciones y representación" style="max-width: 25%;" align="left"/>The worksheet shows a procedure for the representation in de Poincaré disc of convex and self-intersecting regular hyperbolic polygons.https://www.maplesoft.com/applications/view.aspx?SID=154784&ref=FeedWed, 22 Sep 2021 04:00:00 ZProf. jose luis herasProf. jose luis herasConstruction of Wilkie's fundamental regions for NEC groups
https://www.maplesoft.com/applications/view.aspx?SID=154777&ref=Feed
This worksheet computes the Wilkie's fundamental region for a NEC group;, the generators of the group; and the corresponding tessellation of hyperbolic plane with copies of the region.<img src="https://www.maplesoft.com/view.aspx?si=154777/WilkieRegion.png" alt="Construction of Wilkie's fundamental regions for NEC groups" style="max-width: 25%;" align="left"/>This worksheet computes the Wilkie's fundamental region for a NEC group;, the generators of the group; and the corresponding tessellation of hyperbolic plane with copies of the region.https://www.maplesoft.com/applications/view.aspx?SID=154777&ref=FeedWed, 15 Sep 2021 04:00:00 ZProf. jose luis herasProf. jose luis herasMathematics for Chemistry
https://www.maplesoft.com/applications/view.aspx?SID=154267&ref=Feed
This interactive electronic textbook in the form of Maple worksheets comprises two parts.
<br><br>
Part I, Mathematics for Chemistry, is supposed to cover all mathematics that an instructor of chemistry might hope and expect that his students would learn, understand and be able to apply as a result of sufficient courses typically, but not exclusively, presented in departments of mathematics. Its nine chapters include (0) a summary and illustration of useful Maple commands, (1) arithmetic, algebra and elementary functions, (2) plotting, descriptive geometry, trigonometry, series, complex functions, (3) differential calculus of one variable, (4) integral calculus of one variable, (5) multivariate calculus, (6) linear algebra including matrix, vector, eigenvector, vector calculus, tensor, spreadsheet, (7) differential and integral equations, and (8) probability, distribution, treatment of laboratory data, linear and non-linear regression and optimization.
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Part II presents mathematical topics typically taught within chemistry courses, including (9) chemical equilibrium, (10) group theory, (11) graph theory, (12a,b,c) introduction to quantum mechanics and quantum chemistry, (13) optical molecular spectrometry, (14) applications of Fourier transforms in chemistry including electron diffraction, x-ray diffraction, microwave spectra, infrared and Raman spectra and nuclear-magnetic-resonance spectra, (15) advanced chemical kinetics, and (16) dielectric and magnetic properties of chemical matter.
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Also included in this collection are an essay on Teaching Mathematics to Chemistry Students with Symbolic Computation and a periodic chart of the chemical elements incorporating various
data on elemental properties.
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Edition 6.
Last updated Aug. 15, 2021.<img src="https://www.maplesoft.com/view.aspx?si=154267/molecule.PNG" alt="Mathematics for Chemistry" style="max-width: 25%;" align="left"/>This interactive electronic textbook in the form of Maple worksheets comprises two parts.
<br><br>
Part I, Mathematics for Chemistry, is supposed to cover all mathematics that an instructor of chemistry might hope and expect that his students would learn, understand and be able to apply as a result of sufficient courses typically, but not exclusively, presented in departments of mathematics. Its nine chapters include (0) a summary and illustration of useful Maple commands, (1) arithmetic, algebra and elementary functions, (2) plotting, descriptive geometry, trigonometry, series, complex functions, (3) differential calculus of one variable, (4) integral calculus of one variable, (5) multivariate calculus, (6) linear algebra including matrix, vector, eigenvector, vector calculus, tensor, spreadsheet, (7) differential and integral equations, and (8) probability, distribution, treatment of laboratory data, linear and non-linear regression and optimization.
<br><br>
Part II presents mathematical topics typically taught within chemistry courses, including (9) chemical equilibrium, (10) group theory, (11) graph theory, (12a,b,c) introduction to quantum mechanics and quantum chemistry, (13) optical molecular spectrometry, (14) applications of Fourier transforms in chemistry including electron diffraction, x-ray diffraction, microwave spectra, infrared and Raman spectra and nuclear-magnetic-resonance spectra, (15) advanced chemical kinetics, and (16) dielectric and magnetic properties of chemical matter.
<br><br>
Also included in this collection are an essay on Teaching Mathematics to Chemistry Students with Symbolic Computation and a periodic chart of the chemical elements incorporating various
data on elemental properties.
<br><br>
Edition 6.
Last updated Aug. 15, 2021.https://www.maplesoft.com/applications/view.aspx?SID=154267&ref=FeedThu, 19 Aug 2021 14:22:04 ZJohn OgilvieJohn OgilvieUse Optimization for Worst Case Analysis
https://www.maplesoft.com/applications/view.aspx?SID=154769&ref=Feed
In this application, the worst case analysis for a circuit with Three-pin regulator is performed. Usually, Extreme value analysis, Root Sum Square, and Monte Carlo analysis are used for the worst case analysis. As the other approach, the optimization technique can be applied for it, especially to obtain maximum and minimum cases to replace the extreme value analysis. In terms of finding the global optimal solution, the Global Optimization toolbox (add-on) is used in this application.<img src="https://www.maplesoft.com/view.aspx?si=154769/ThreePinRegulator.png" alt="Use Optimization for Worst Case Analysis" style="max-width: 25%;" align="left"/>In this application, the worst case analysis for a circuit with Three-pin regulator is performed. Usually, Extreme value analysis, Root Sum Square, and Monte Carlo analysis are used for the worst case analysis. As the other approach, the optimization technique can be applied for it, especially to obtain maximum and minimum cases to replace the extreme value analysis. In terms of finding the global optimal solution, the Global Optimization toolbox (add-on) is used in this application.https://www.maplesoft.com/applications/view.aspx?SID=154769&ref=FeedWed, 18 Aug 2021 19:46:11 ZTakashi IwagayaTakashi IwagayaCircuit Tolerance Analysis of a Broadband Pulse Transformer
https://www.maplesoft.com/applications/view.aspx?SID=154770&ref=Feed
The application implements three circuit tolerance analysis methods.
<br><br>
• For the DC analysis<br>
– a full factorial analysis (the approach allows both symmetric and asymmetric tolerances)<br>
– Monte-Carlo simulation, assuming normally distributed component parameters<br>
• For the AC analysis, the symbolic partial derivatives of the circuit equations are used for a sensitivity analysis, with magnitude and phase plots illustrating the frequency-dependent behavior.
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The application also demonstrates how you can generate a customized table of results using Maple's programmatic report generation tools.<img src="https://www.maplesoft.com/view.aspx?si=154770/Broadband_pulse_transformer.png" alt="Circuit Tolerance Analysis of a Broadband Pulse Transformer" style="max-width: 25%;" align="left"/>The application implements three circuit tolerance analysis methods.
<br><br>
• For the DC analysis<br>
– a full factorial analysis (the approach allows both symmetric and asymmetric tolerances)<br>
– Monte-Carlo simulation, assuming normally distributed component parameters<br>
• For the AC analysis, the symbolic partial derivatives of the circuit equations are used for a sensitivity analysis, with magnitude and phase plots illustrating the frequency-dependent behavior.
<br><br>
The application also demonstrates how you can generate a customized table of results using Maple's programmatic report generation tools.https://www.maplesoft.com/applications/view.aspx?SID=154770&ref=FeedWed, 18 Aug 2021 04:00:00 ZSamir KhanSamir KhanQuantum Mechanics for Chemistry
https://www.maplesoft.com/applications/view.aspx?SID=154768&ref=Feed
This interactive electronic textbook is designed to provide a comprehensive introduction to quantum mechanics in a context of chemistry. This book comprises three extensive chapters, treating model systems, atoms and molecules in turn, applying symbolic calculations with computer program Maple.<img src="https://www.maplesoft.com/view.aspx?si=154768/quantummechimage.png" alt="Quantum Mechanics for Chemistry" style="max-width: 25%;" align="left"/>This interactive electronic textbook is designed to provide a comprehensive introduction to quantum mechanics in a context of chemistry. This book comprises three extensive chapters, treating model systems, atoms and molecules in turn, applying symbolic calculations with computer program Maple.https://www.maplesoft.com/applications/view.aspx?SID=154768&ref=FeedWed, 28 Jul 2021 19:22:19 ZJohn OgilvieJohn OgilvieThe hidden SO4 symmetry of the hydrogen atom
https://www.maplesoft.com/applications/view.aspx?SID=154764&ref=Feed
In this worksheet, we derive the SO(4) symmetry of the hydrogen atom and its energy spectrum, without explicitly solving Schrodinger’s equation, using the Maple Physics package. While this problem is well known [4], [5], its solution involves several steps manipulating expressions with tensorial quantum operators, including simplifying them by taking into account a combination of commutator rules and Einstein’s sum rule for repeated indices. Therefore, it is an excellent model to test the current status of Computer Algebra Systems (CAS) concerning this kind of quantum-and-tensor-algebra computations and to showcase the CAS technique. The presentation also shows two alternative patterns of steps that can be used for systematically tackling more complicated symbolic problems of this kind.<img src="https://www.maplesoft.com/applications/images/app_image_blank_lg.jpg" alt="The hidden SO4 symmetry of the hydrogen atom" style="max-width: 25%;" align="left"/>In this worksheet, we derive the SO(4) symmetry of the hydrogen atom and its energy spectrum, without explicitly solving Schrodinger’s equation, using the Maple Physics package. While this problem is well known [4], [5], its solution involves several steps manipulating expressions with tensorial quantum operators, including simplifying them by taking into account a combination of commutator rules and Einstein’s sum rule for repeated indices. Therefore, it is an excellent model to test the current status of Computer Algebra Systems (CAS) concerning this kind of quantum-and-tensor-algebra computations and to showcase the CAS technique. The presentation also shows two alternative patterns of steps that can be used for systematically tackling more complicated symbolic problems of this kind.https://www.maplesoft.com/applications/view.aspx?SID=154764&ref=FeedMon, 17 May 2021 04:00:00 ZDr. Edgardo Cheb-TerrabDr. Edgardo Cheb-TerrabScanning Tunneling Microscope Animation(Quantum Mechanical Effect of Tunneling)
https://www.maplesoft.com/applications/view.aspx?SID=154760&ref=Feed
This application has provided animation to give a sense of visualization of scanning tunneling microscope. A scanning tunneling microscope is used for scanning surfaces at the atomic level. In practice, the microscope has a very sharp and well-defined tip, and It can distinguish features smaller than 0.1 nm.<img src="https://www.maplesoft.com/view.aspx?si=154760/Image-STM.jpg" alt="Scanning Tunneling Microscope Animation(Quantum Mechanical Effect of Tunneling)" style="max-width: 25%;" align="left"/>This application has provided animation to give a sense of visualization of scanning tunneling microscope. A scanning tunneling microscope is used for scanning surfaces at the atomic level. In practice, the microscope has a very sharp and well-defined tip, and It can distinguish features smaller than 0.1 nm.https://www.maplesoft.com/applications/view.aspx?SID=154760&ref=FeedMon, 22 Mar 2021 04:00:00 ZBehzad Mohasel Afshari, Admitted Ph.D student, School of Advanced Manufacturing & Mechanical Engineering, University of South AustraliaBehzad Mohasel Afshari, Admitted Ph.D student, School of Advanced Manufacturing & Mechanical Engineering, University of South AustraliaQuantum Physics(Double-slit experiment and Quantum tunnelling)
https://www.maplesoft.com/applications/view.aspx?SID=154759&ref=Feed
We have provided two animations in this application. The first one is for the double-slit experiment and the second one is for quantum tunneling.<img src="https://www.maplesoft.com/view.aspx?si=154759/Image-QP.jpg" alt="Quantum Physics(Double-slit experiment and Quantum tunnelling)" style="max-width: 25%;" align="left"/>We have provided two animations in this application. The first one is for the double-slit experiment and the second one is for quantum tunneling.https://www.maplesoft.com/applications/view.aspx?SID=154759&ref=FeedThu, 18 Mar 2021 04:00:00 ZBehzad Mohasel Afshari, Admitted Ph.D student, School of Advanced Manufacturing & Mechanical Engineering, University of South AustraliaBehzad Mohasel Afshari, Admitted Ph.D student, School of Advanced Manufacturing & Mechanical Engineering, University of South AustraliaComplete Active Space Self-Consistent Field Method
https://www.maplesoft.com/applications/view.aspx?SID=154731&ref=Feed
This project addresses the importance of the CASSCF method and its importance in the description of the dissociation of diatomic molecules.
This worksheet uses the Maple Quantum Chemistry Toolbox.<img src="https://www.maplesoft.com/view.aspx?si=154731/projectImageArturo.png" alt="Complete Active Space Self-Consistent Field Method" style="max-width: 25%;" align="left"/>This project addresses the importance of the CASSCF method and its importance in the description of the dissociation of diatomic molecules.
This worksheet uses the Maple Quantum Chemistry Toolbox.https://www.maplesoft.com/applications/view.aspx?SID=154731&ref=FeedWed, 17 Mar 2021 04:00:00 ZArturo SauzaArturo SauzaDensity functional theory: Comparison of different functionals
https://www.maplesoft.com/applications/view.aspx?SID=154733&ref=Feed
Density functional theory (DFT) is a method to calculate the electronic structure and electronic properties of a system. Theoretically, this should give very accurate results. Yet, in computational sciences, some approximations need to be made due to the limited time and space resources. The exchange-correlation term between electrons is often approximated, with more or less accuracy depending on the functionals. Here, we will compare several functionals on different systems, in order to see which kind of approximation is better for a given system. This worksheet uses the Maple Quantum Chemistry Toolbox.<img src="https://www.maplesoft.com/view.aspx?si=154733/mignature.png" alt="Density functional theory: Comparison of different functionals" style="max-width: 25%;" align="left"/>Density functional theory (DFT) is a method to calculate the electronic structure and electronic properties of a system. Theoretically, this should give very accurate results. Yet, in computational sciences, some approximations need to be made due to the limited time and space resources. The exchange-correlation term between electrons is often approximated, with more or less accuracy depending on the functionals. Here, we will compare several functionals on different systems, in order to see which kind of approximation is better for a given system. This worksheet uses the Maple Quantum Chemistry Toolbox.https://www.maplesoft.com/applications/view.aspx?SID=154733&ref=FeedWed, 17 Mar 2021 04:00:00 ZFlo SzczepaniakFlo SzczepaniakConical Intersections in Polyatomic Molecules
https://www.maplesoft.com/applications/view.aspx?SID=154734&ref=Feed
Nonadiabatic transitions between electronic excited states play important roles in photochemistry and photophysics of molecular systems. One special kind of nonadiabatic transition is an internal conversion process near a conical intersections. A classic example of ultrafast internal conversion through a conical intersection is the ultrafast relaxation process from S2 to S1 of pyrazine. In this work, we introduce the properties of the conical intersection and a minimal model to describe a system with a conical intersection. By applying the parameters in pyrazine based on literatures, we can construct potential energy surfaces with a conical intersection in pyrazine. By tuning the parameters, we can find how these parameters affect the position of a conical intersection. Also, based on literatures, only a few modes contribute to this process in pyrazine. Thus, based on normal mode analysis, we can see motions of 24 normal modes and see the animation of proposed modes in literature which contribute to the process. This worksheet uses the Maple Quantum Chemistry Toolbox.<img src="https://www.maplesoft.com/view.aspx?si=154734/CI_maple.png" alt="Conical Intersections in Polyatomic Molecules" style="max-width: 25%;" align="left"/>Nonadiabatic transitions between electronic excited states play important roles in photochemistry and photophysics of molecular systems. One special kind of nonadiabatic transition is an internal conversion process near a conical intersections. A classic example of ultrafast internal conversion through a conical intersection is the ultrafast relaxation process from S2 to S1 of pyrazine. In this work, we introduce the properties of the conical intersection and a minimal model to describe a system with a conical intersection. By applying the parameters in pyrazine based on literatures, we can construct potential energy surfaces with a conical intersection in pyrazine. By tuning the parameters, we can find how these parameters affect the position of a conical intersection. Also, based on literatures, only a few modes contribute to this process in pyrazine. Thus, based on normal mode analysis, we can see motions of 24 normal modes and see the animation of proposed modes in literature which contribute to the process. This worksheet uses the Maple Quantum Chemistry Toolbox.https://www.maplesoft.com/applications/view.aspx?SID=154734&ref=FeedWed, 17 Mar 2021 04:00:00 ZShou-Ting HsiehShou-Ting Hsieh