Molecular electric dipole moments using the GVVPT2 variant of multireference perturbation theory

Chemical Physics Letters

Volumn 487, Issue 1-3, 2010, Pages 116-121

  Theis, Daniel ^a   Khait, Yuriy G ^a   Pal, Sourav ^b   Hoffmann, Mark R ^a  

^a UNIVERSITY OF NORTH DAKOTA   (United States)

^b NATIONAL CHEMICAL LABORATORY   (India)

Author keywords

[No Author keywords available]

Indexed keywords

ELECTRIC DIPOLE; EQUILIBRIUM BOND LENGTH; FIRST EXCITED STATE; LAGRANGIAN APPROACHES; MOLECULAR PROPERTIES; MULTI REFERENCE; PERTURBATION THEORY; POTENTIAL ENERGY CURVES; RESPONSE PROPERTIES; SECOND ORDERS; SIMULTANEOUS EQUATIONS;

ELECTRIC DIPOLE MOMENTS; LAGRANGE MULTIPLIERS; POTENTIAL ENERGY;

PERTURBATION TECHNIQUES;

EID: 76049105289     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2010.01.003     Document Type: Article

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