Accurate calculations of second-order electric and magnetic properties: Two ways of physically justified modifications of basis sets

Chemical Physics

Volumn 372, Issue 1-3, 2010, Pages 67-71

  Bolshakov, V ^a   Rossikhin, V ^a   Voronkov, E ^b   Okovytyy, S ^c   Leszczynski, J ^d  

^a PRYDNIPROVSKA STATE ACADEMY OF CIVIL ENGINEERING AND ARCHITECTURE   (Ukraine)

^b Dnipro National University of Railway Transport Named after Academician V Lazaryan   (Ukraine)

^c OLES HONCHAR DNIPRO NATIONAL UNIVERSITY   (Ukraine)

^d JACKSON STATE UNIVERSITY   (United States)

Author keywords

Ab initio; Basis set; Magnetizability; Nuclear magnetic shielding; Polarizability

Indexed keywords

EID: 77954216571     PISSN: 03010104     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.chemphys.2010.04.033     Document Type: Article

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