Ab initio calculation of stationary points for the ground and the first excited state of HCO

Martina Bittererová; Hans Lischka; Stanislav Biskupič

doi:10.1002/qua.560550307

Ab initio calculation of stationary points for the ground and the first excited state of HCO

International Journal of Quantum Chemistry ◽

10.1002/qua.560550307 ◽

1995 ◽

Vol 55 (3) ◽

pp. 261-268 ◽

Cited By ~ 9

Author(s):

Martina Bittererová ◽

Hans Lischka ◽

Stanislav Biskupič

Keyword(s):

Excited State ◽

Ab Initio ◽

Ab Initio Calculation ◽

Stationary Points ◽

First Excited State

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Ab initio calculation of stationary points on the HF2 potential energy surface

Chemical Physics Letters ◽

10.1016/s0009-2614(98)01232-9 ◽

1999 ◽

Vol 299 (2) ◽

pp. 145-150 ◽

Cited By ~ 17

Author(s):

Martina Bittererová ◽

Stanislav Biskupič

Keyword(s):

Potential Energy ◽

Potential Energy Surface ◽

Ab Initio ◽

Ab Initio Calculation ◽

Energy Surface ◽

Stationary Points

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Ab initio study of the ground state and the first excited state of the rectangular (D2h)N4 molecule

Chemical Physics Letters ◽

10.1016/s0009-2614(01)01002-8 ◽

2001 ◽

Vol 347 (1-3) ◽

pp. 220-228 ◽

Cited By ~ 18

Author(s):

Martina Bittererová ◽

Henric Östmark ◽

Tore Brinck

Keyword(s):

Excited State ◽

Ab Initio ◽

Ground State ◽

Ab Initio Study ◽

First Excited State

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An ab Initio Excursion on the Lowest 18 Electronic Surfaces of the NCl + NCl System: Some Insight into the Long-Range Self-Quenching Pathways of the First Excited State of NCl†

The Journal of Physical Chemistry A ◽

10.1021/jp025692n ◽

2002 ◽

Vol 106 (36) ◽

pp. 8453-8460 ◽

Cited By ~ 1

Author(s):

Gregory S. Tschumper ◽

Michael C. Heaven ◽

Keiji Morokuma

Keyword(s):

Excited State ◽

Ab Initio ◽

Long Range ◽

First Excited State ◽

Insight Into

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Ab Initio Calculation of Resonance Raman Cross Sections Based on Excited State Geometry Optimization

The Journal of Physical Chemistry A ◽

10.1021/jp103321x ◽

2010 ◽

Vol 114 (43) ◽

pp. 11681-11690 ◽

Cited By ~ 14

Author(s):

J. F. Gaff ◽

S. Franzen ◽

B. Delley

Keyword(s):

Excited State ◽

Ab Initio ◽

Cross Sections ◽

Ab Initio Calculation ◽

Resonance Raman ◽

Geometry Optimization ◽

Excited State Geometry Optimization

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Ab initio pseudopotential study of europium monoxide EuO: 8Σ− Ground state and 8Σ− first excited state

Chemical Physics ◽

10.1016/0301-0104(90)89019-m ◽

1990 ◽

Vol 148 (2-3) ◽

pp. 219-227 ◽

Cited By ~ 20

Author(s):

Michael Dolg ◽

Hermann Stoll ◽

Heinzwerner Preuss

Keyword(s):

Excited State ◽

Ab Initio ◽

Ground State ◽

First Excited State ◽

Europium Monoxide

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Ab initio study of the first excited state A2Σ+ and of the transition A2Σ+←X2Π of CNO

Chemical Physics Letters ◽

10.1016/j.cplett.2008.04.061 ◽

2008 ◽

Vol 458 (1-3) ◽

pp. 24-28 ◽

Cited By ~ 7

Author(s):

C. Léonard ◽

G. Chambaud

Keyword(s):

Excited State ◽

Ab Initio ◽

Ab Initio Study ◽

First Excited State

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An ab initio study of the ground and first excited state of HCN ↔ HNC isomerization and a calculation of the HNC A → X fluorescence spectrum

Chemical Physics Letters ◽

10.1016/0009-2614(95)00277-b ◽

1995 ◽

Vol 237 (1-2) ◽

pp. 27-32 ◽

Cited By ~ 24

Author(s):

B. Gazdy ◽

D.G. Musaev ◽

J.M. Bowman ◽

K. Morokuma

Keyword(s):

Excited State ◽

Ab Initio ◽

Fluorescence Spectrum ◽

Ab Initio Study ◽

First Excited State

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Accurate High-Level Ab Initio-Based Global Potential Energy Surface and Quantum Dynamics Calculation for the First Excited State of CH2+

The Journal of Physical Chemistry A ◽

10.1021/acs.jpca.1c02413 ◽

2021 ◽

Author(s):

Hongyu Ma ◽

Chengyuan Zhang ◽

Yuzhi Song ◽

Fengcai Ma ◽

Yongqing Li

Keyword(s):

Excited State ◽

Potential Energy ◽

Potential Energy Surface ◽

Ab Initio ◽

Quantum Dynamics ◽

Energy Surface ◽

First Excited State ◽

Dynamics Calculation ◽

High Level

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Ab initio calculation of excited state dipole polarizability - Application to the first 1, 3Σ+g,u states of Li 2

The European Physical Journal D ◽

10.1007/s100530170007 ◽

2001 ◽

Vol 17 (3) ◽

pp. 329-335 ◽

Cited By ~ 14

Author(s):

M. Mérawa ◽

M. Rérat

Keyword(s):

Excited State ◽

Ab Initio ◽

Ab Initio Calculation ◽

Dipole Polarizability

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Ab initio study of the ground and first excited state of LiAr

International Journal of Quantum Chemistry ◽

10.1002/qua.560530604 ◽

1995 ◽

Vol 53 (6) ◽

pp. 607-615 ◽

Cited By ~ 16

Author(s):

Joanna Sadlej ◽

W. Daniel Edwards

Keyword(s):

Excited State ◽

Ab Initio ◽

Ab Initio Study ◽

First Excited State

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