Multireference configuration interaction and second-order perturbation theory calculations for the 1 3A″, 1 1A″, and 1 1A′ electronic states of vinylnitrene and vinylphosphinidene

Cl-Loss and H-Loss Dissociations in Low-Lying Electronic States of the CH3Cl+Ion Studied Using Multiconfiguration Second-Order Perturbation Theory

The Journal of Physical Chemistry A ◽

10.1021/jp050344h ◽

2005 ◽

Vol 109 (19) ◽

pp. 4381-4387 ◽

Cited By ~ 9

Author(s):

Hong-Wei Xi ◽

Ming-Bao Huang ◽

Bo-Zhen Chen ◽

Wen-Zuo Li

Keyword(s):

Perturbation Theory ◽

Electronic States ◽

Second Order ◽

Order Perturbation ◽

Second-order perturbation theory and configuration interaction theory applied to medium-sized molecules: cyclopropane, ethylenimine, ethylene oxide, fluoroethane, and acetaldehyde

Journal of the American Chemical Society ◽

10.1021/ja00213a010 ◽

1988 ◽

Vol 110 (5) ◽

pp. 1388-1393 ◽

Cited By ~ 22

Author(s):

Emmanuel D. Simandiras ◽

Roger D. Amos ◽

Nicholas C. Handy ◽

Timothy J. Lee ◽

Julia E. Rice ◽

...

Keyword(s):

Perturbation Theory ◽

Ethylene Oxide ◽

Configuration Interaction ◽

Second Order ◽

Order Perturbation ◽

Interaction Theory ◽

The 12A″, 12A′, and 22A′ electronic states of the H2S+ ion studied using multiconfiguration second-order perturbation theory

Chemical Physics ◽

10.1016/j.chemphys.2005.04.005 ◽

2005 ◽

Vol 315 (1-2) ◽

pp. 133-141 ◽

Cited By ~ 6

Author(s):

Wen-Zuo Li ◽

Ming-Bao Huang

Keyword(s):

Perturbation Theory ◽

Electronic States ◽

Second Order ◽

Order Perturbation ◽

Theoretical investigation of the eight low-lying electronic states of thecis- andtrans-nitric oxide dimers and its isomerization using multiconfigurational second-order perturbation theory (CASPT2)

The Journal of Chemical Physics ◽

10.1063/1.481234 ◽

2000 ◽

Vol 112 (15) ◽

pp. 6608-6624 ◽

Cited By ~ 55

Author(s):

R. Sayós ◽

R. Valero ◽

J. M. Anglada ◽

Miguel González

Keyword(s):

Nitric Oxide ◽

Perturbation Theory ◽

Theoretical Investigation ◽

Electronic States ◽

Second Order ◽

Order Perturbation ◽

Electronic states of the ion studied using multiconfiguration second-order perturbation theory

Journal of Molecular Spectroscopy ◽

10.1016/j.jms.2013.10.004 ◽

2014 ◽

Vol 295 ◽

pp. 58-61 ◽

Cited By ~ 2

Author(s):

Shu-Yuan Yu ◽

Cheng-Gen Zhang

Keyword(s):

Perturbation Theory ◽

Electronic States ◽

Second Order ◽

Order Perturbation ◽

Cl-loss and F-loss dissociations in low-lying electronic states of the CF2Cl2+ ion studied using multiconfiguration second-order perturbation theory

Chemical Physics Letters ◽

10.1016/j.cplett.2009.12.071 ◽

2010 ◽

Vol 485 (4-6) ◽

pp. 290-295

Author(s):

Tao Liu ◽

Wen-Zuo Li ◽

Qing-Zhong Li ◽

Hai-Feng Zhang ◽

Hong-Wei Xi

Keyword(s):

Perturbation Theory ◽

Electronic States ◽

Second Order ◽

Order Perturbation ◽

An Assessment of the Accuracy of Multireference Configuration Interaction (MRCI) and Complete-Active-Space Second-Order Perturbation Theory (CASPT2) for Breaking Bonds to Hydrogen

The Journal of Physical Chemistry A ◽

10.1021/jp034669e ◽

2003 ◽

Vol 107 (29) ◽

pp. 5611-5616 ◽

Cited By ~ 30

Author(s):

Micah L. Abrams ◽

C. David Sherrill

Keyword(s):

Perturbation Theory ◽

Configuration Interaction ◽

Second Order ◽

Order Perturbation ◽

Complete Active Space ◽

Active Space ◽

C, D, and E Electronic States of the SO2+Ion Studied Using Multiconfiguration Second-Order Perturbation Theory

The Journal of Physical Chemistry A ◽

10.1021/jp048524z ◽

2004 ◽

Vol 108 (33) ◽

pp. 6901-6907 ◽

Cited By ~ 17

Author(s):

Wen-Zuo Li ◽

Ming-Bao Huang

Keyword(s):

Perturbation Theory ◽

Electronic States ◽

Second Order ◽

Order Perturbation ◽

Electronic states of the ion studied using multiconfiguration second-order perturbation theory

Chemical Physics ◽

10.1016/j.chemphys.2004.07.009 ◽

2004 ◽

Vol 304 (3) ◽

pp. 253-259 ◽

Cited By ~ 3

Author(s):

Wen-Zuo Li ◽

Ming-Bao Huang

Keyword(s):

Perturbation Theory ◽

Electronic States ◽

Second Order ◽

Order Perturbation ◽

Low-lying electronic states of the OCS+ ion studied using multiconfiguration second-order perturbation theory

Chemical Physics Letters ◽

10.1016/j.cplett.2005.09.040 ◽

2005 ◽

Vol 416 (1-3) ◽

pp. 107-112 ◽

Cited By ~ 4

Author(s):

Bo-Zhen Chen ◽

Ming-Bao Huang ◽

Hai-Bo Chang

Keyword(s):

Perturbation Theory ◽

Electronic States ◽

Second Order ◽

Order Perturbation ◽