Analysis of difference two-electron density matrix between two states of magnetic molecules

International Journal of Quantum Chemistry

Volumn 85, Issue 4-5, 2001, Pages 204-213

  Yamaki, D ^a   Nagao, H ^b   Yamaguchi, K ^a  

^a OSAKA UNIVERSITY   (Japan)

^b KANAZAWA UNIVERSITY   (Japan)

Author keywords

Difference natural geminals (DNG); Difference two electron density matrix; Two electron density matrix (2 DM); Visualization of two electron wave functions

Indexed keywords

BUTADIENE; METHANE; MOLECULES; QUANTUM THEORY;

ELECTRON CORRELATION; MAGNETIC MOLECULES; TRANSBUTADIENE; TRIMETHYLENE METHANE;

ELECTRONIC DENSITY OF STATES;

EID: 0035890486     PISSN: 00207608     EISSN: None     Source Type: Journal    
DOI: 10.1002/qua.10014     Document Type: Conference Paper

References (14)