Potential energy surfaces and tunneling dynamics of some Jahn-Teller active molecules

The topology of the lower energy sheet for the Potential Energy Surface corresponding to the dynamic Jahn-Teller effect is obtained by means of homological techniques.

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Real-Time Tunneling Dynamics through Adiabatic Potential Energy Surfaces Shaped by a Conical Intersection

The Journal of Physical Chemistry Letters ◽

10.1021/acs.jpclett.0c01892 ◽

2020 ◽

Vol 11 (16) ◽

pp. 6730-6736 ◽

Cited By ~ 1

Author(s):

Kyung Chul Woo ◽

Sang Kyu Kim

Keyword(s):

Potential Energy ◽

Real Time ◽

Potential Energy Surfaces ◽

Adiabatic Potential ◽

Conical Intersection ◽

Tunneling Dynamics ◽

Energy Surfaces

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The first determination of the energy difference between solid-state conformers by x-ray diffraction. 1. The crystal structure of the pseudo-Jahn-Teller complex (nitrito)bis(2,2'-bipyridyl)copper(II) nitrate at 20, 100, 165 and 296 K and of its isostructural zinc(II) analog at 295 K. 2. The possibility of using x-ray diffraction to characterize adiabatic potential energy surfaces and relative ligand strengths

Journal of the American Chemical Society ◽

10.1021/ja00241a009 ◽

1987 ◽

Vol 109 (7) ◽

pp. 1947-1958 ◽

Cited By ~ 42

Author(s):

Charles J. Simmons ◽

Brian J. Hathaway ◽

Kitti Amornjarusiri ◽

Bernard D. Santarsiero ◽

Abraham Clearfield

Keyword(s):

Crystal Structure ◽

Solid State ◽

Potential Energy ◽

Potential Energy Surfaces ◽

Energy Difference ◽

X Ray Diffraction ◽

X Ray ◽

Jahn Teller ◽

Energy Surfaces

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Potential energy surfaces and Jahn-Teller effect on CH4⋯NO complexes

The Journal of Chemical Physics ◽

10.1063/1.2752805 ◽

2007 ◽

Vol 127 (10) ◽

pp. 104305 ◽

Cited By ~ 7

Author(s):

Rachel Crespo-Otero ◽

Reynier Suardiaz ◽

Luis Alberto Montero ◽

José M. García de la Vega

Keyword(s):

Potential Energy ◽

Potential Energy Surfaces ◽

Teller Effect ◽

Jahn Teller ◽

Jahn Teller Effect ◽

Energy Surfaces

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High-order expansion of T2×t2 Jahn–Teller potential-energy surfaces in tetrahedral molecules

The Journal of Chemical Physics ◽

10.1063/1.3382912 ◽

2010 ◽

Vol 132 (15) ◽

pp. 154108 ◽

Cited By ~ 47

Author(s):

Daniel Opalka ◽

Wolfgang Domcke

Keyword(s):

Potential Energy ◽

Potential Energy Surfaces ◽

High Order ◽

Order Expansion ◽

Jahn Teller ◽

Tetrahedral Molecules ◽

Energy Surfaces ◽

High Order Expansion

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High-order expansion of T2×e Jahn–Teller potential-energy surfaces in tetrahedral systems

Chemical Physics Letters ◽

10.1016/j.cplett.2010.06.011 ◽

2010 ◽

Vol 494 (4-6) ◽

pp. 134-138 ◽

Cited By ~ 24

Author(s):

Daniel Opalka ◽

Wolfgang Domcke

Keyword(s):

Potential Energy ◽

Potential Energy Surfaces ◽

High Order ◽

Order Expansion ◽

Jahn Teller ◽

Energy Surfaces ◽

High Order Expansion

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Modeling cusps in adiabatic potential energy surfaces using a generalized Jahn-Teller coordinate

Chemical Physics Letters ◽

10.1016/j.cplett.2016.07.029 ◽

2016 ◽

Vol 660 ◽

pp. 55-59 ◽

Cited By ~ 8

Author(s):

B.R.L. Galvão ◽

V.C. Mota ◽

A.J.C. Varandas

Keyword(s):

Potential Energy ◽

Potential Energy Surfaces ◽

Adiabatic Potential ◽

Jahn Teller ◽

Energy Surfaces

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The first determination of the energy difference between solid-state conformers by X-ray diffraction. 1. The crystal structure of the pseudo-Jahn–Teller complex (nitrito)bis(2,2′-bipridyl)copper(II) nitrate at 20, 100, 165, and 296 K. 2. The possibility of using X-ray diffraction to characterize adiabatic potential energy surfaces and relative ligand strengths

Acta Crystallographica Section A Foundations of Crystallography ◽

10.1107/s0108767387083739 ◽

1987 ◽

Vol 43 (a1) ◽

pp. C66-C66

Author(s):

C. J. Simmons ◽

B. J. Hathaway ◽

B. D. Santarsiero ◽

A. Clearfield

Keyword(s):

Crystal Structure ◽

Solid State ◽

Potential Energy ◽

Potential Energy Surfaces ◽

Energy Difference ◽

X Ray Diffraction ◽

X Ray ◽

Jahn Teller ◽

Energy Surfaces

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Jahn-Teller effect for short-lived states: Study of the complex potential energy surfaces

The Journal of Chemical Physics ◽

10.1063/1.1755651 ◽

2004 ◽

Vol 121 (1) ◽

pp. 5 ◽

Cited By ~ 7

Author(s):

Sven Feuerbacher ◽

Lorenz S. Cederbaum

Keyword(s):

Potential Energy ◽

Complex Potential ◽

Potential Energy Surfaces ◽

Teller Effect ◽

Jahn Teller ◽

Jahn Teller Effect ◽

Energy Surfaces

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Permutationally invariant polynomial potential energy surfaces for tropolone and H and D atom tunneling dynamics

The Journal of Chemical Physics ◽

10.1063/5.0011973 ◽

2020 ◽

Vol 153 (2) ◽

pp. 024107 ◽

Cited By ~ 2

Author(s):

Paul Houston ◽

Riccardo Conte ◽

Chen Qu ◽

Joel M. Bowman

Keyword(s):

Potential Energy ◽

Potential Energy Surfaces ◽

Invariant Polynomial ◽

Polynomial Potential ◽

Tunneling Dynamics ◽

Energy Surfaces

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