Acceleration of fragment molecular orbital calculations with Cholesky decomposition approach-Reference-Cited by-同舟云学术

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Acceleration of fragment molecular orbital calculations with Cholesky decomposition approach

Published:2010-04 Issue:1-3 Volume:490 Page:84-89
ISSN:0009-2614
Container-title:Chemical Physics Letters
language:en
Short-container-title:Chemical Physics Letters

Author:

Okiyama Yoshio,Nakano Tatsuya,Yamashita Katsumi,Mochizuki Yuji,Taguchi Naoki,Tanaka Shigenori

Funder

Core Research for Evolutional Science and Technology (CREST)

Research and Development for Next-generation Information Technology of Ministry of Education, Culture, Sports, Science and Technology (MEXT)

Publisher

Elsevier BV

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Reference50 articles.

1. Pair interaction molecular orbital method: an approximate computational method for molecular interactions

2. Fragment molecular orbital method: an approximate computational method for large molecules

3. Fragment molecular orbital method: application to polypeptides

4. Fragment molecular orbital method: analytical energy gradients

5. Fragment molecular orbital method: use of approximate electrostatic potential

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