Accurate ab initio near-equilibrium potential energy and dipole moment functions of the ground electronic state of ozone

Daiqian Xie; Hua Guo; Kirk A. Peterson

doi:10.1063/1.481442

Accurate ab initio near-equilibrium potential energy and dipole moment functions of the ground electronic state of ozone

The Journal of Chemical Physics ◽

10.1063/1.481442 ◽

2000 ◽

Vol 112 (19) ◽

pp. 8378-8386 ◽

Cited By ~ 46

Author(s):

Daiqian Xie ◽

Hua Guo ◽

Kirk A. Peterson

Keyword(s):

Dipole Moment ◽

Potential Energy ◽

Ab Initio ◽

Electronic State ◽

Ground Electronic State ◽

Equilibrium Potential ◽

Moment Functions

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Accurate ab initio near-equilibrium potential energy and dipole moment functions of HOCl and HOBr

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy ◽

10.1016/s1386-1425(97)00014-0 ◽

1997 ◽

Vol 53 (8) ◽

pp. 1051-1064 ◽

Cited By ~ 30

Author(s):

Kirk A. Peterson

Keyword(s):

Dipole Moment ◽

Potential Energy ◽

Ab Initio ◽

Equilibrium Potential ◽

Moment Functions

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Accurate ab initio near-equilibrium potential energy and dipole moment functions of the X 2B1 and first excited 2A2 electronic states of OClO and OBrO

The Journal of Chemical Physics ◽

10.1063/1.477558 ◽

1998 ◽

Vol 109 (20) ◽

pp. 8864-8875 ◽

Cited By ~ 57

Author(s):

Kirk A. Peterson

Keyword(s):

Dipole Moment ◽

Potential Energy ◽

Ab Initio ◽

Electronic States ◽

Equilibrium Potential ◽

Moment Functions

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Ab initio properties and potential energy surface of the ground electronic state of BeHe2+

Chemical Physics Letters ◽

10.1016/j.cplett.2006.08.017 ◽

2006 ◽

Vol 429 (1-3) ◽

pp. 335-340 ◽

Cited By ~ 7

Author(s):

Alister J. Page ◽

David J.D. Wilson ◽

Ellak I. von Nagy-Felsobuki

Keyword(s):

Potential Energy ◽

Potential Energy Surface ◽

Ab Initio ◽

Electronic State ◽

Energy Surface ◽

Ground Electronic State

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Accurate ab initio based DMBE potential energy surface for the ground electronic state of N2H2

The Journal of Chemical Physics ◽

10.1063/1.3176512 ◽

2009 ◽

Vol 131 (4) ◽

pp. 044309 ◽

Cited By ~ 16

Author(s):

L. A. Poveda ◽

M. Biczysko ◽

A. J. C. Varandas

Keyword(s):

Potential Energy ◽

Potential Energy Surface ◽

Ab Initio ◽

Electronic State ◽

Energy Surface ◽

Ground Electronic State

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Kinetic and dynamic studies of the Cl(2Pu) + H2O(X̃1A1) → HCl(X̃1Σ+) + OH(X̃2Π) reaction on an ab initio based full-dimensional global potential energy surface of the ground electronic state of ClH2O

The Journal of Chemical Physics ◽

10.1063/1.4817967 ◽

2013 ◽

Vol 139 (7) ◽

pp. 074302 ◽

Cited By ~ 34

Author(s):

Jun Li ◽

Richard Dawes ◽

Hua Guo

Keyword(s):

Potential Energy ◽

Potential Energy Surface ◽

Ab Initio ◽

Electronic State ◽

Energy Surface ◽

Ground Electronic State ◽

Dynamic Studies

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Ab initio Based DMBE Potential Energy Surface for the Ground Electronic State of the C2H Molecule

The Journal of Physical Chemistry A ◽

10.1021/jp910269w ◽

2010 ◽

Vol 114 (7) ◽

pp. 2655-2664 ◽

Cited By ~ 3

Author(s):

S. Joseph ◽

A. J. C. Varandas

Keyword(s):

Potential Energy ◽

Potential Energy Surface ◽

Ab Initio ◽

Electronic State ◽

Energy Surface ◽

Ground Electronic State

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Structure of the nitrosomethane molecule (CH3NO) in the ground electronic state: Testing of ab initio methods for the description of potential energy surface

International Journal of Quantum Chemistry ◽

10.1002/qua.10683 ◽

2003 ◽

Vol 96 (3) ◽

pp. 193-201 ◽

Cited By ~ 8

Author(s):

Eugeniy K. Dolgov ◽

Vadim A. Bataev ◽

Igor A. Godunov

Keyword(s):

Potential Energy ◽

Potential Energy Surface ◽

Ab Initio ◽

Electronic State ◽

Energy Surface ◽

Ground Electronic State ◽

State Testing ◽

Ab Initio Methods

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Ab initio Potential Energy Surface for Ne–Li2 in Its Ground Electronic State

Russian Journal of Physical Chemistry A ◽

10.1134/s0036024419030233 ◽

2019 ◽

Vol 93 (3) ◽

pp. 488-493

Author(s):

Wang Yue ◽

Gao Gan ◽

Dong De Zhi ◽

Pei Yue

Keyword(s):

Potential Energy ◽

Potential Energy Surface ◽

Ab Initio ◽

Electronic State ◽

Energy Surface ◽

Ground Electronic State

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Correlated ab initio investigations on the intermolecular and intramolecular potential energy surfaces in the ground electronic state of the O2−(XΠg2)− HF (XΣ+1) complex

The Journal of Chemical Physics ◽

10.1063/1.4772653 ◽

2013 ◽

Vol 138 (1) ◽

pp. 014304 ◽

Cited By ~ 1

Author(s):

Wafaa M. Fawzy ◽

Mahmoud Elsayed ◽

Yuchen Zhang

Keyword(s):

Potential Energy ◽

Ab Initio ◽

Electronic State ◽

Potential Energy Surfaces ◽

Ground Electronic State ◽

Energy Surfaces

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Ab initio potential energy surface for HeF2 in its ground electronic state

Chemical Physics ◽

10.1016/j.chemphys.2004.05.031 ◽

2005 ◽

Vol 308 (3) ◽

pp. 277-284 ◽

Cited By ~ 1

Author(s):

U. Lourderaj ◽

N. Sathyamurthy

Keyword(s):

Potential Energy ◽

Potential Energy Surface ◽

Ab Initio ◽

Electronic State ◽

Energy Surface ◽

Ground Electronic State

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