Communication: Comparing ab initio methods of obtaining effective U parameters for closed-shell materials

Journal of Chemical Physics

Volumn 140, Issue 12, 2014, Pages

  Yu, Kuang ^a   Carter, Emily A ^a,b  

^a Princeton University   (United States)

^b PRINCETON UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

COMMUNICATION; TRANSITION METAL COMPOUNDS; TRANSITION METALS;

AB INITIO METHOD; CLOSED SHELLS; GROUND STATE PROPERTIES; MAIN-GROUP ELEMENTS; NUMERICAL INSTABILITY; OPEN-SHELL; UHF METHOD; UNRESTRICTED HARTREE-FOCK;

QUANTUM CHEMISTRY;

EID: 84897475811     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4869718     Document Type: Article

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