Ab Initio Ground‐State Potential Energy Function and Vibration‐Rotation Energy Levels of Aluminum Monohydride

Journal of Computational Chemistry ◽

10.1002/jcc.26026 ◽

2019 ◽

Vol 40 (29) ◽

pp. 2522-2529

Author(s):

Jacek Koput

Keyword(s):

Potential Energy ◽

Ab Initio ◽

Ground State ◽

Energy Function ◽

Energy Levels ◽

Potential Energy Function ◽

State Potential ◽

Vibration Rotation ◽

Rotation Energy

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Ab initioground-state potential energy function and vibration-rotation energy levels of imidogen, NH

Journal of Computational Chemistry ◽

10.1002/jcc.23931 ◽

2015 ◽

Vol 36 (17) ◽

pp. 1286-1294 ◽

Author(s):

Jacek Koput

Keyword(s):

Potential Energy ◽

Energy Function ◽

Energy Levels ◽

Potential Energy Function ◽

State Potential ◽

Vibration Rotation ◽

Rotation Energy

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The ab initio ground-state potential energy function of beryllium monohydride, BeH

The Journal of Chemical Physics ◽

10.1063/1.3671610 ◽

2011 ◽

Vol 135 (24) ◽

pp. 244308 ◽

Author(s):

Jacek Koput

Keyword(s):

Potential Energy ◽

Ab Initio ◽

Ground State ◽

Energy Function ◽

Potential Energy Function ◽

State Potential

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Ab initio study ground-state potential energy function of SiCl+

Journal of Molecular Structure THEOCHEM ◽

10.1016/j.theochem.2005.05.031 ◽

2005 ◽

Vol 728 (1-3) ◽

pp. 159-166 ◽

Author(s):

Ting-Qi Ren ◽

Shi-Liang Ding ◽

Chuan-Lu Yang

Keyword(s):

Potential Energy ◽

Ab Initio ◽

Ground State ◽

Energy Function ◽

Potential Energy Function ◽

Ab Initio Study ◽

State Potential

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Ground‐state potential energy functions and vibration‐rotation energy levels of beryllium lithium and its cation

Journal of Computational Chemistry ◽

10.1002/jcc.26809 ◽

2022 ◽

Author(s):

Jacek Koput

Keyword(s):

Potential Energy ◽

Ground State ◽

Energy Levels ◽

Energy Functions ◽

Potential Energy Functions ◽

State Potential ◽

Vibration Rotation ◽

Rotation Energy

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Ab Initio Prediction of the Potential Energy Surface and Vibration−Rotation Energy Levels of CaCl2

The Journal of Physical Chemistry A ◽

10.1021/jp711785p ◽

2008 ◽

Vol 112 (12) ◽

pp. 2743-2746 ◽

Author(s):

Jacek Koput

Keyword(s):

Potential Energy ◽

Potential Energy Surface ◽

Ab Initio ◽

Energy Surface ◽

Energy Levels ◽

Ab Initio Prediction ◽

Vibration Rotation ◽

Rotation Energy

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Ab initio prediction of the potential energy surface and vibration-rotation energy levels of BeH2

The Journal of Chemical Physics ◽

10.1063/1.2212932 ◽

2006 ◽

Vol 125 (4) ◽

pp. 044306 ◽

Author(s):

Jacek Koput ◽

Kirk A. Peterson

Keyword(s):

Potential Energy ◽

Potential Energy Surface ◽

Ab Initio ◽

Energy Surface ◽

Energy Levels ◽

Ab Initio Prediction ◽

Vibration Rotation ◽

Rotation Energy

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Application of the generalized potential energy function for solving the inverse spectroscopic problem: the ground-state potential of SiF+

Chemical Physics Letters ◽

10.1016/0009-2614(91)87145-2 ◽

1991 ◽

Vol 180 (3) ◽

pp. 230-234 ◽

Author(s):

A.A. Šurkus

Keyword(s):

Potential Energy ◽

Ground State ◽

Energy Function ◽

Potential Energy Function ◽

Generalized Potential ◽

State Potential

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The ground-state potential energy function of PO+

Spectrochimica Acta Part A Molecular Spectroscopy ◽

10.1016/0584-8539(92)80157-r ◽

1992 ◽

Vol 48 (10) ◽

pp. 1501-1502 ◽

Author(s):

A.A. Šurkus

Keyword(s):

Potential Energy ◽

Ground State ◽

Energy Function ◽

Potential Energy Function ◽

State Potential

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Ground-state potential energy function of SiCl+

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy ◽

10.1016/j.saa.2003.09.016 ◽

2004 ◽

Vol 60 (8-9) ◽

pp. 2185-2187 ◽

Author(s):

A. Šurkus

Keyword(s):

Potential Energy ◽

Ground State ◽

Energy Function ◽

Potential Energy Function ◽

State Potential

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Accurate ab initio determination of the adiabatic potential energy function and the Born–Oppenheimer breakdown corrections for the electronic ground state of LiH isotopologues

The Journal of Chemical Physics ◽

10.1063/1.3555758 ◽

2011 ◽

Vol 134 (9) ◽

pp. 094306 ◽

Author(s):

Filip Holka ◽

Péter G. Szalay ◽

Julien Fremont ◽

Michael Rey ◽

Kirk A. Peterson ◽

...

Keyword(s):

Potential Energy ◽

Ab Initio ◽

Ground State ◽

Energy Function ◽

Potential Energy Function ◽

Electronic Ground State ◽

Adiabatic Potential ◽

Electronic Ground

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