The one-electron picture in the piris natural orbital functional 5 (PNOF5)

Theoretical Chemistry Accounts

Volumn 132, Issue 2, 2013, Pages 1-11

  Piris, Mario ^a,b   Matxain, Jon M ^a   Lopez, Xabier ^a   Ugalde, Jesus M ^a   Ugalde, M ^a  

^a UNIVERSITY OF THE BASQUE COUNTRY UPV EHU   (Spain)

^b BASQUE FOUNDATION FOR SCIENCE   (Spain)

Author keywords

Molecular orbitals; Natural orbital functional; One particle reduced density matrix; Orbital energies; PNOF5

Indexed keywords

EID: 84871779972     PISSN: 1432881X     EISSN: None     Source Type: Journal    
DOI: 10.1007/s00214-012-1298-4     Document Type: Article

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