Collision for Li++He System. I. Potential Curves and Non-Adiabatic Coupling Matrix Elements

Junichi Yoshida; Kiyosi O-Ohata

doi:10.1143/jpsj.53.554

Collision for Li++He System. I. Potential Curves and Non-Adiabatic Coupling Matrix Elements

Journal of the Physical Society of Japan ◽

10.1143/jpsj.53.554 ◽

1984 ◽

Vol 53 (2) ◽

pp. 554-562

Author(s):

Junichi Yoshida ◽

Kiyosi O-Ohata

Keyword(s):

Matrix Elements ◽

Coupling Matrix ◽

Potential Curves

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Ab initio Calculation of the Potential Curves for the Reaction O3++H→O2++H+ and the Related Diabatic Coupling Matrix Elements

Journal of the Physical Society of Japan ◽

10.1143/jpsj.51.1274 ◽

1982 ◽

Vol 51 (4) ◽

pp. 1274-1281 ◽

Cited By ~ 2

Author(s):

Junichi Yoshida ◽

Kiyosi O-Ohata

Keyword(s):

Ab Initio ◽

Ab Initio Calculation ◽

Matrix Elements ◽

Coupling Matrix ◽

Potential Curves

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Potential curves and nonadiabatic coupling matrix elements for the O+−Ne system

International Journal of Quantum Chemistry ◽

10.1002/qua.560160849 ◽

2009 ◽

Vol 16 (S13) ◽

pp. 475-484

Author(s):

Ole Halkjaer ◽

Jan Linderberg

Keyword(s):

Matrix Elements ◽

Coupling Matrix ◽

Nonadiabatic Coupling ◽

Potential Curves

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Ab initio CI calculations of the potential curves and nonadiabatic coupling matrix elements for collisions of protons with the ethylene molecule

International Journal of Quantum Chemistry ◽

10.1002/qua.10584 ◽

2003 ◽

Vol 95 (6) ◽

pp. 866-876 ◽

Cited By ~ 5

Author(s):

Sachchida N. Rai ◽

Heinz-Peter Liebermann ◽

Robert J. Buenker ◽

Mineo Kimura

Keyword(s):

Ab Initio ◽

Matrix Elements ◽

Coupling Matrix ◽

Nonadiabatic Coupling ◽

Ethylene Molecule ◽

Ci Calculations ◽

Potential Curves

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Closed-form expression for the coupling matrix elements related to TM- scattering from a symmetric double strip grating

10.1109/euma.1996.337719 ◽

1996 ◽

Author(s):

Dragan Filipovic ◽

A Vujacic

Keyword(s):

Closed Form ◽

Closed Form Expression ◽

Matrix Elements ◽

Form Expression ◽

Coupling Matrix

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A Unified Treatment of Energy Derivatives and Non-Adiabatic Coupling Matrix Elements

Geometrical Derivatives of Energy Surfaces and Molecular Properties ◽

10.1007/978-94-009-4584-5_11 ◽

1986 ◽

pp. 147-155 ◽

Cited By ~ 2

Author(s):

Byron H. Lengsfield

Keyword(s):

Matrix Elements ◽

Coupling Matrix ◽

Energy Derivatives

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New closed-form expression for coupling matrix elements related to scattering from planar periodic single-strip grating

IEE Proceedings - Microwaves Antennas and Propagation ◽

10.1049/ip-map:19952359 ◽

1995 ◽

Vol 142 (6) ◽

pp. 492 ◽

Cited By ~ 3

Author(s):

D. Filipovic

Keyword(s):

Closed Form ◽

Closed Form Expression ◽

Matrix Elements ◽

Form Expression ◽

Coupling Matrix ◽

Single Strip

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Ab initio study of nonadiabatic coupling matrix elements between excited 22A′ and 32A′ electronic states of C2H

Chemical Physics Letters ◽

10.1016/s0009-2614(01)00110-5 ◽

2001 ◽

Vol 336 (1-2) ◽

pp. 135-142 ◽

Cited By ~ 13

Author(s):

Alexander M. Mebel ◽

Michael Baer ◽

Victor M. Rozenbaum ◽

Sheng H. Lin

Keyword(s):

Ab Initio ◽

Electronic States ◽

Matrix Elements ◽

Ab Initio Study ◽

Coupling Matrix ◽

Nonadiabatic Coupling

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The Hellmann–Feynman theorem for approximate wave functions and its application to nonadiabatic coupling matrix elements with the aid of a coupled Hartree–Fock method

The Journal of Chemical Physics ◽

10.1063/1.438971 ◽

1980 ◽

Vol 72 (10) ◽

pp. 5532-5539 ◽

Cited By ~ 29

Author(s):

Peter Habitz ◽

Christian Votava

Keyword(s):

Wave Functions ◽

Matrix Elements ◽

Coupling Matrix ◽

Nonadiabatic Coupling ◽

Hartree Fock ◽

Approximate Wave ◽

Feynman Theorem

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Probing the nature of surface intersection by ab initio calculations of the nonadiabatic coupling matrix elements: A conical intersection due to bending motion in C2H

The Journal of Chemical Physics ◽

10.1063/1.481712 ◽

2000 ◽

Vol 112 (24) ◽

pp. 10703-10706 ◽

Cited By ~ 31

Author(s):

Alexander M. Mebel ◽

Michael Baer ◽

Sheng H. Lin

Keyword(s):

Ab Initio Calculations ◽

Ab Initio ◽

Conical Intersection ◽

Matrix Elements ◽

Coupling Matrix ◽

Nonadiabatic Coupling ◽

Surface Intersection

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The evaluation of vibronic coupling matrix elements

Chemical Physics Letters ◽

10.1016/0009-2614(76)80509-x ◽

1976 ◽

Vol 44 (2) ◽

pp. 277-280 ◽

Cited By ~ 66

Author(s):

Giorgio Orlandi

Keyword(s):

Vibronic Coupling ◽

Matrix Elements ◽

Coupling Matrix

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