Application of MP2 results in comparative studies of semiempirical ground-state energies of large atoms

Collection of Czechoslovak Chemical Communications

Volumn 68, Issue 2, 2003, Pages 240-252

  Flores, Jesus R ^a   Jankowski, Karol ^b   Słupski, Romuald ^b  

^a UNIVERSITY OF VIGO   (Spain)

^b NICOLAUS COPERNICUS UNIVERSITY   (Poland)

Author keywords

Correlation energies; DFT; MP2; Quantum chemistry; Quantum mechanics; Semiempirical calculations; Wave functions

Indexed keywords

ION;

ARTICLE; ATOM; CALCULATION; COMPARATIVE STUDY; CORRELATION ANALYSIS; ELECTRON; EMPIRICISM; ENERGY; NUCLEAR PHYSICS;

EID: 0037308336     PISSN: 00100765     EISSN: None     Source Type: Journal    
DOI: 10.1135/cccc20030240     Document Type: Article

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