Calculation of vibrational energy levels of triatomic molecules with the C 2v and C s symmetries by summing divergent series of the Rayleigh-Schrödinger perturbation theory

Optics and Spectroscopy ◽

10.1134/s0030400x12020099 ◽

2012 ◽

Vol 112 (3) ◽

pp. 420-430 ◽

Author(s):

A. D. Bykov ◽

K. V. Kalinin

Keyword(s):

Perturbation Theory ◽

Vibrational Energy ◽

Energy Levels ◽

Divergent Series ◽

Triatomic Molecules ◽

Vibrational Energy Levels ◽

Schrödinger Perturbation

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On the computation of ro-vibrational energy levels of triatomic molecules

Computer Physics Communications ◽

10.1016/0010-4655(92)90086-e ◽

1992 ◽

Vol 70 (1) ◽

pp. 1-14 ◽

Author(s):

David W. Schwenke

Keyword(s):

Vibrational Energy ◽

Energy Levels ◽

Triatomic Molecules ◽

Vibrational Energy Levels

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Use of second‐order perturbation theory for the vibrational energy levels and partition functions at a saddle point

The Journal of Chemical Physics ◽

10.1063/1.467511 ◽

1994 ◽

Vol 101 (5) ◽

pp. 3928-3935 ◽

Author(s):

Alan D. Isaacson ◽

Shu‐Chin Hung

Keyword(s):

Perturbation Theory ◽

Saddle Point ◽

Vibrational Energy ◽

Energy Levels ◽

Second Order ◽

Order Perturbation ◽

Order Perturbation Theory ◽

Partition Functions ◽

Vibrational Energy Levels ◽

Second Order Perturbation Theory

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Calculation of vibrational energy levels of water molecule by summing divergent perturbation theory series

Optics and Spectroscopy ◽

10.1134/s0030400x11080091 ◽

2011 ◽

Vol 111 (3) ◽

pp. 367-375 ◽

Author(s):

A. D. Bykov ◽

K. V. Kalinin

Keyword(s):

Perturbation Theory ◽

Water Molecule ◽

Vibrational Energy ◽

Energy Levels ◽

Vibrational Energy Levels ◽

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Semi-classical methods for vibrational energy levels of triatomic molecules

Faraday Discussions of the Chemical Society ◽

10.1039/dc9776200029 ◽

1977 ◽

Vol 62 ◽

pp. 29 ◽

Author(s):

N. C. Handy ◽

S. M. Colwell ◽

W. H. Miller

Keyword(s):

Vibrational Energy ◽

Energy Levels ◽

Triatomic Molecules ◽

Vibrational Energy Levels

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Calculation of the energy levels of excited vibrational states of the HD16O molecule by summing divergent series of the Rayleigh-Schrödinger perturbation theory. The shift of zero-order levels

Optics and Spectroscopy ◽

10.1134/s0030400x14030047 ◽

2014 ◽

Vol 116 (4) ◽

pp. 557-563 ◽

Author(s):

A. D. Bykov ◽

A. N. Duchko ◽

K. V. Kalinin

Keyword(s):

Perturbation Theory ◽

Energy Levels ◽

Divergent Series ◽

Vibrational States ◽

Schrödinger Perturbation

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The Fourier grid Hamiltonian method for calculating vibrational energy levels of triatomic molecules

International Journal of Quantum Chemistry ◽

10.1002/qua.22547 ◽

2011 ◽

Vol 111 (10) ◽

pp. 2268-2274 ◽

Author(s):

Pranab Sarkar ◽

Basir Ahamed

Keyword(s):

Vibrational Energy ◽

Energy Levels ◽

Hamiltonian Method ◽

Triatomic Molecules ◽

Vibrational Energy Levels

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The accuracy of second order perturbation theory for multiply excited vibrational energy levels and partition functions for a symmetric top molecular ion

The Journal of Chemical Physics ◽

10.1063/1.464950 ◽

1993 ◽

Vol 98 (6) ◽

pp. 4948-4958 ◽

Author(s):

Q. Zhang ◽

Paul N. Day ◽

Donald G. Truhlar

Keyword(s):

Perturbation Theory ◽

Vibrational Energy ◽

Energy Levels ◽

Second Order ◽

Order Perturbation ◽

Order Perturbation Theory ◽

Partition Functions ◽

Molecular Ion ◽

Vibrational Energy Levels ◽

Second Order Perturbation Theory

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A Variational Procedure for Calculation of the Ro-vibrational Energy Levels of Triatomic Molecules Using Transformed Internal Coordinates

The Journal of Physical Chemistry ◽

10.1021/j100087a010 ◽

1994 ◽

Vol 98 (36) ◽

pp. 8870-8875 ◽

Author(s):

Guosen Yan ◽

Daiqian Xie ◽

Anmin Tian

Keyword(s):

Vibrational Energy ◽

Energy Levels ◽

Variational Procedure ◽

Triatomic Molecules ◽

Internal Coordinates ◽

Vibrational Energy Levels

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A variational method for the calculation of vibrational energy levels of triatomic molecules using a Hamiltonian in hyperspherical coordinates

The Journal of Chemical Physics ◽

10.1063/1.459229 ◽

1990 ◽

Vol 93 (12) ◽

pp. 8902-8914 ◽

Author(s):

Stuart Carter ◽

Wilfried Meyer

Keyword(s):

Variational Method ◽

Vibrational Energy ◽

Energy Levels ◽

Hyperspherical Coordinates ◽

Triatomic Molecules ◽

Vibrational Energy Levels

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Solution of the Schrödinger equation by a spectral method II: Vibrational energy levels of triatomic molecules

The Journal of Chemical Physics ◽

10.1063/1.444501 ◽

1983 ◽

Vol 78 (1) ◽

pp. 301-308 ◽

Author(s):

M. D. Feit ◽

J. A. Fleck

Keyword(s):

Schrödinger Equation ◽

Spectral Method ◽

Schrodinger Equation ◽

Vibrational Energy ◽

Energy Levels ◽

Triatomic Molecules ◽

Vibrational Energy Levels

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