CASSCF and CASPT2 calculations for lanthanide trihalides LnX3 using model core potentials

Chemical Physics Letters

Volumn 474, Issue 1-3, 2009, Pages 28-32

  Tsukamoto, Shinya ^a   Mori, Hirotoshi ^b,c   Tatewaki, Hiroshi ^d   Miyoshi, Eisaku ^a,c  

^a KYUSHU UNIVERSITY   (Japan)

^b OCHANOMIZU UNIVERSITY   (Japan)

^c JAPAN SCIENCE AND TECHNOLOGY AGENCY   (Japan)

^d NAGOYA CITY UNIVERSITY   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

BOND DISTANCES; CAS-SCF; ELECTRONIC CONFIGURATIONS; LANTHANIDE TRIHALIDES; MODEL CORE POTENTIALS; STATIC AND DYNAMICS;

CERIUM; CERIUM COMPOUNDS; ELECTRON CORRELATIONS; ELECTRON DENSITY MEASUREMENT; ERBIUM; GROUND STATE; HOLMIUM; YTTERBIUM;

MODEL STRUCTURES;

EID: 65549126288     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2009.04.018     Document Type: Article

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