Possible Simplification of the Algorithm for Calculating Electronic-Vibrational Energy Levels of Polyatomic Molecules in Natural Coordinates with Averaging of the Kinetic Energy Operator

Journal of Applied Spectroscopy ◽

10.1007/s10812-020-01005-2 ◽

2020 ◽

Vol 87 (2) ◽

pp. 345-348

Author(s):

L. A. Gribov

Keyword(s):

Kinetic Energy ◽

Vibrational Energy ◽

Energy Levels ◽

Energy Operator ◽

Polyatomic Molecules ◽

Natural Coordinates ◽

Kinetic Energy Operator ◽

Vibrational Energy Levels

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Vibrational energy levels for symmetric and asymmetric isotopomers of ammonia with an exact kinetic energy operator and new potential energy surfaces

The Journal of Chemical Physics ◽

10.1063/1.1555801 ◽

2003 ◽

Vol 118 (14) ◽

pp. 6358-6369 ◽

Author(s):

Timo Rajamäki ◽

Andrea Miani ◽

Lauri Halonen

Keyword(s):

Kinetic Energy ◽

Potential Energy ◽

Potential Energy Surfaces ◽

Vibrational Energy ◽

Energy Levels ◽

Energy Operator ◽

Kinetic Energy Operator ◽

Vibrational Energy Levels ◽

Energy Surfaces

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INVERSION VIBRATIONAL ENERGY LEVELS OF AsH3 + STUDIED BY ZERO-KINETIC-ENERGY PHOTOELECTRON SPECTROSCOPY

Proceedings of the 71st International Symposium on Molecular Spectroscopy ◽

10.15278/isms.2016.tf09 ◽

2016 ◽

Author(s):

Yuxiang Mo

Keyword(s):

Kinetic Energy ◽

Photoelectron Spectroscopy ◽

Vibrational Energy ◽

Energy Levels ◽

Zero Kinetic Energy ◽

Vibrational Energy Levels

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On derivation of curvilinear ro-vibrational quantum kinetic energy operator, for polyatomic molecules

Journal of Molecular Structure THEOCHEM ◽

10.1016/s0166-1280(98)00013-x ◽

1998 ◽

Vol 433 (1-3) ◽

pp. 69-81 ◽

Author(s):

J.R. Alvarez-Collado

Keyword(s):

Kinetic Energy ◽

Energy Operator ◽

Polyatomic Molecules ◽

Kinetic Energy Operator

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The calculation of vibrational energy levels of polyatomic molecules including anharmonic effect using contact transformation perturbation method

International Journal of Quantum Chemistry ◽

10.1002/qua.24232 ◽

2012 ◽

Vol 113 (8) ◽

pp. 1180-1191 ◽

Author(s):

M. Dehestani ◽

Z. Kalantari

Keyword(s):

Perturbation Method ◽

Vibrational Energy ◽

Energy Levels ◽

Polyatomic Molecules ◽

Contact Transformation ◽

Anharmonic Effect ◽

Vibrational Energy Levels

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On the use of “effective harmonic potentials” and “effective normal coordinates” in computing the vibrational energy levels of polyatomic molecules

Chemical Physics ◽

10.1016/0301-0104(82)85043-x ◽

1982 ◽

Vol 71 (3) ◽

pp. 363-375 ◽

Author(s):

G. Amat

Keyword(s):

Vibrational Energy ◽

Energy Levels ◽

Polyatomic Molecules ◽

Normal Coordinates ◽

Vibrational Energy Levels

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Group-theoretical formulation of an Eckart-frame kinetic energy operator in curvilinear coordinates for polyatomic molecules

The Journal of Chemical Physics ◽

10.1063/1.5109482 ◽

2019 ◽

Vol 151 (2) ◽

pp. 024101 ◽

Author(s):

Michael Rey

Keyword(s):

Kinetic Energy ◽

Energy Operator ◽

Polyatomic Molecules ◽

Curvilinear Coordinates ◽

Kinetic Energy Operator ◽

Theoretical Formulation

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The density of vibrational energy levels of polyatomic molecules

Molecular Physics ◽

10.1080/00268976300100871 ◽

1964 ◽

Vol 7 (2) ◽

pp. 101-117 ◽

Author(s):

P.C. Haarhoff

Keyword(s):

Vibrational Energy ◽

Energy Levels ◽

Polyatomic Molecules ◽

Vibrational Energy Levels

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Cation vibrational energy levels of 1,3-benzodioxole obtained via zero kinetic energy photoelectron spectroscopy

Chemical Physics Letters ◽

10.1016/j.cplett.2004.12.024 ◽

2005 ◽

Vol 402 (1-3) ◽

pp. 212-216 ◽

Author(s):

Yonggang He ◽

Chengyin Wu ◽

Wei Kong

Keyword(s):

Kinetic Energy ◽

Photoelectron Spectroscopy ◽

Vibrational Energy ◽

Energy Levels ◽

Zero Kinetic Energy ◽

Vibrational Energy Levels

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Survey of correlation properties of polyatomic molecules vibrational energy levels using F. T. analysis

Quantum Chaos and Statistical Nuclear Physics - Lecture Notes in Physics ◽

10.1007/3-540-17171-1_5 ◽

2008 ◽

pp. 72-90 ◽

Author(s):

R. Jost ◽

M. Lombardi

Keyword(s):

Vibrational Energy ◽

Energy Levels ◽

Polyatomic Molecules ◽

Vibrational Energy Levels ◽

Correlation Properties

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Algebraic calculation of vibrational energy levels for polyatomic molecules XH3 and XH4: application to ammonia and silane

Chemical Physics Letters ◽

10.1016/s0009-2614(01)00825-9 ◽

2001 ◽

Vol 344 (3-4) ◽

pp. 421-428 ◽

Author(s):

Xi-Wen Hou ◽

F. Borondo ◽

R.M. Benito

Keyword(s):

Vibrational Energy ◽

Energy Levels ◽

Polyatomic Molecules ◽

Algebraic Calculation ◽

Vibrational Energy Levels

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