Electronic structures and bonding of CeF: A frozen-core four-component relativistic configuration interaction study

Journal of Physical Chemistry A

Volumn 111, Issue 36, 2007, Pages 8877-8883

  Wasada Tsutsui, Yuko ^a   Watanabe, Yoshihiro ^b   Tatewaki, Hiroshi ^a  

^a NAGOYA CITY UNIVERSITY   (Japan)

^b KYUSHU UNIVERSITY   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

CHEMICAL BONDS; ELECTRIC EXCITATION; ELECTRONIC STRUCTURE; EXCITED STATES; FREQUENCY BANDS; MOLECULAR INTERACTIONS;

DIRAC-FOCK-ROOTHAAN (DFR); LOW-LYING STATES; REDUCED FROZEN-CORE APPROXIMATION (RFCA); SINGLE AND DOUBLE EXCITATION CONFIGURATION INTERACTION (SDCI);

CERIUM COMPOUNDS;

EID: 34848843139     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp0709149     Document Type: Article

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