Analytical optimization of orbital exponents in...

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta) 2011 / 12 Vol. 130; Iss. 4-6

Analytical optimization of orbital exponents in Gaussian-type functions for molecular systems based on MCSCF and MP2 levels of fully variational molecular orbital method

Naoto Shimizu, Takayoshi Ishimoto, Masanori Tachikawa
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Volume:
130
Language:
english
Pages:
7
DOI:
10.1007/s00214-011-1052-3
Date:
December, 2011
File:
PDF, 520 KB
english, 2011
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