High-level ab initio electronic structure calculations of R gBe2O2 and RgBe2O 2Rg (Rg = He, Ne, Ar, Kr and Xe) complexes

Chemical Physics Letters

Volumn 498, Issue 4-6, 2010, Pages 235-239

  Kobayashi, Takanori ^a   Seki, Kanekazu ^a   Takayanagi, Toshiyuki ^b  

^a YOKOHAMA NATIONAL UNIVERSITY   (Japan)

^b SAITAMA UNIVERSITY   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO; AB-INITIO ELECTRONIC STRUCTURE CALCULATIONS; CCSD; COUPLED CLUSTERS; ENERGY INCREASE; RARE GAS; RARE GAS ATOMS; VAN DER WAALS INTERACTION ENERGY;

ATOMS; COMPLEXATION; ELECTRONIC STRUCTURE; INERT GASES; KRYPTON; NEON; NUCLEAR ENERGY; POTENTIAL ENERGY; VAN DER WAALS FORCES; XENON;

BINDING ENERGY;

EID: 77957294618     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2010.08.061     Document Type: Article

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