메뉴 건너뛰기




Volumn 12, Issue 6, 2011, Pages 1061-1065

Diradicals and diradicaloids in natural orbital functional theory

Author keywords

ab initio calculations; computational chemistry; correlation energies; electronic structure; radicals

Indexed keywords

CALCULATIONS; COMPUTATIONAL CHEMISTRY; ELECTRONIC STRUCTURE; ISOMERS; MOLECULES; WAVE FUNCTIONS;

EID: 79953887854     PISSN: 14394235     EISSN: 14397641     Source Type: Journal    
DOI: 10.1002/cphc.201100136     Document Type: Article
Times cited : (30)

References (38)
  • 36
    • 79953854600 scopus 로고    scopus 로고
    • Iterative diagonalization for orbital optimization using the PNOF
    • M. Piris, PNOFID. Iterative diagonalization for orbital optimization using the PNOF, downloadable at http://www.ehu.es/mario.piris/#Software.
    • PNOFID
    • M. Piris1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.