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

Second Order ◽

Order Perturbation ◽

Interaction Theory ◽

ChemInform Abstract: Second-Order Perturbation Theory and Configuration Interaction Theory Applied to Medium-Sized Molecules: Cyclopropane, Ethylenimine, Ethylene Oxide, Fluoroethane, and Acetaldehyde.

ChemInform ◽

10.1002/chin.198826062 ◽

1988 ◽

Vol 19 (26) ◽

Author(s):

E. D. SIMANDIRAS ◽

R. D. AMOS ◽

N. C. HANDY ◽

T. J. LEE ◽

J. E. RICE ◽

...

Keyword(s):

Perturbation Theory ◽

Ethylene Oxide ◽

Second Order ◽

Order Perturbation ◽

Interaction Theory ◽

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 ◽

Second Order ◽

Order Perturbation ◽

Complete Active Space ◽

Active Space ◽

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

Chemical Physics Letters ◽

10.1016/0009-2614(96)00865-2 ◽

1996 ◽

Vol 260 (1-2) ◽

pp. 7-14 ◽

Cited By ~ 19

Author(s):

Vudhichai Parasuk ◽

Christopher J. Cramer

Keyword(s):

Perturbation Theory ◽

Electronic States ◽

Second Order ◽

Order Perturbation ◽

Development of Monte Carlo configuration interaction: Natural orbitals and second-order perturbation theory

The Journal of Chemical Physics ◽

10.1063/1.4767436 ◽

2012 ◽

Vol 137 (20) ◽

pp. 204108 ◽

Cited By ~ 24

Author(s):

J. P. Coe ◽

M. J. Paterson

Keyword(s):

Monte Carlo ◽

Perturbation Theory ◽

Second Order ◽

Order Perturbation ◽

Natural Orbitals ◽

Publisher's Note: “Development of Monte Carlo configuration interaction: Natural orbitals and second-order perturbation theory” [J. Chem. Phys. 137, 204108 (2012)]

The Journal of Chemical Physics ◽

10.1063/1.4809588 ◽

2013 ◽

Vol 138 (20) ◽

pp. 209903 ◽

Cited By ~ 1

Author(s):

J. P. Coe ◽

M. J. Paterson

Keyword(s):

Monte Carlo ◽

Perturbation Theory ◽

Chem Phys ◽

Second Order ◽

Order Perturbation ◽

Natural Orbitals ◽

Statistics of Smoothed Cosmic Fields in Perturbation Theory. I. Formulation and Useful Formulae in Second‐Order Perturbation Theory

The Astrophysical Journal ◽

10.1086/345521 ◽

2003 ◽

Vol 584 (1) ◽

pp. 1-33 ◽

Cited By ~ 93

Author(s):

Takahiko Matsubara

Keyword(s):

Perturbation Theory ◽

Second Order ◽

Order Perturbation ◽