Variational calculations of fermion second-order reduced density matrices be semidefinite programming algorithm

Maho Nakata, Hiroshi Nakatsuji, Masahiro Ehara, Mitsuhiro Fukuda, Kazuhide Nakata, Katsuki Fujisawa

Research output: Contribution to journalArticle

204 Citations (Scopus)

Abstract

The DMVT was developed systematically by using semidefinite programming algorithm (SDPA) as a problem solver. It was shown that the technique is very stable. Although errors were found, these are permissible in both energy and properties.

Original languageEnglish
Pages (from-to)8282-8292
Number of pages11
JournalJournal of Chemical Physics
Volume114
Issue number19
DOIs
Publication statusPublished - May 15 2001
Externally publishedYes

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Fermions
programming
fermions
energy

All Science Journal Classification (ASJC) codes

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

Cite this

Variational calculations of fermion second-order reduced density matrices be semidefinite programming algorithm. / Nakata, Maho; Nakatsuji, Hiroshi; Ehara, Masahiro; Fukuda, Mitsuhiro; Nakata, Kazuhide; Fujisawa, Katsuki.

In: Journal of Chemical Physics, Vol. 114, No. 19, 15.05.2001, p. 8282-8292.

Research output: Contribution to journalArticle

Nakata, Maho ; Nakatsuji, Hiroshi ; Ehara, Masahiro ; Fukuda, Mitsuhiro ; Nakata, Kazuhide ; Fujisawa, Katsuki. / Variational calculations of fermion second-order reduced density matrices be semidefinite programming algorithm. In: Journal of Chemical Physics. 2001 ; Vol. 114, No. 19. pp. 8282-8292.
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