Literature DB >> 17092074

Theoretical study of the CS2+ dication.

T Sedivcová1, V Spirko, J Fiser.   

Abstract

The potential energy and spin-orbit coupling functions of 11 lowest electronic states of CS(2+) dication have been calculated using internally contracted multireference configuration method. Using these functions, the positions and widths of the corresponding vibronic levels have been evaluated by means of the stabilization and log-phase-amplitude methods. The states governing the second step in the sequential pathway CS2(3+)-->S++CS2+-->S++C++S+ of the overall three-body Coulomb explosion of CS(2)3+ have been determined.

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Year:  2006        PMID: 17092074     DOI: 10.1063/1.2358982

Source DB:  PubMed          Journal:  J Chem Phys        ISSN: 0021-9606            Impact factor:   3.488


  1 in total

1.  A new technique for measurement of subrotational lifetime of molecular ions.

Authors:  Jyoti Rajput; Herendra Kumar; Pragya Bhatt; C P Safvan
Journal:  Sci Rep       Date:  2020-11-20       Impact factor: 4.379

  1 in total

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