Derivatives of the approximated electrostatic potentials in unrestricted Hartree–Fock based on the fragment molecular orbital method and an application to polymer radicals-Reference-Cited by-同舟云学术

Derivatives of the approximated electrostatic potentials in unrestricted Hartree–Fock based on the fragment molecular orbital method and an application to polymer radicals

Published:2014-03-30 Issue:5 Volume:133 Page:
ISSN:1432-881X
Container-title:Theoretical Chemistry Accounts
language:en
Short-container-title:Theor Chem Acc

Author:

Nakata Hiroya,Fedorov Dmitri G.,Yokojima Satoshi,Kitaura Kazuo,Nakamura Shinichiro

Publisher

Springer Science and Business Media LLC

Subject

Physical and Theoretical Chemistry

Link

http://link.springer.com/content/pdf/10.1007/s00214-014-1477-6.pdf

Reference103 articles.

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4. Mezey PG, Leszczynski J (2011) Linear-scaling techniques in computational chemistry and physics. Springer, New York

5. Reimers JR (2011) Computational methods for large systems: electronic structure approaches for biotechnology and nanotechnology. Wiley, New York

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