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Journal of Chemical Physics

Volumn 123, Issue 1, 2005, Pages

First principles investigation of chromium carbide, CrC

(3) Kalemos, Apostolos a,b,c Dunning Jr , Thom H a,b,c Mavridis, Aristides d

a Oak Ridge National Laboratory (United States)

b UNIVERSITY OF TENNESSEE (United States)

c OAK RIDGE NATIONAL LABORATORY (United States)

d UNIVERSITY OF ATHENS (Greece)

Author keywords

[No Author keywords available]

Indexed keywords

CONFIGURATION INTERACTION (CI); DENSITY FUNCTIONAL THEORY; GAUSSIAN FUNCTIONS; MOLECULAR ORBITALS;

BINDING ENERGY; COMPUTATIONAL METHODS; ELECTRONIC STRUCTURE; FUNCTIONS; GROUND STATE; POTENTIAL ENERGY; PROBLEM SOLVING;

CHROMIUM COMPOUNDS;

EID: 22844433395 PISSN: 00219606 EISSN: None Source Type: Journal
DOI: 10.1063/1.1926247 Document Type: Article

Times cited : (21)

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