Simultaneous analytical optimization of variational parameters in Gaussian-type functions with full configuration interaction of multicomponent molecular orbital method by elimination of translational and rotational motions: Application to isotopomers of the hydrogen molecule

✍ Scribed by Ishimoto, Takayoshi; Tachikawa, Masanori; Nagashima, Umpei

• Book ID: 126298492
• Publisher: American Institute of Physics
• Year: 2008
• Tongue: English
• Weight: 394 KB
• Volume: 128
• Category: Article
• ISSN: 0021-9606
• DOI: 10.1063/1.2912939