메뉴 건너뛰기




Volumn 130, Issue 1, 2011, Pages 95-101

Spectroscopy and dissociation of I2-Rg (Rg = Kr and Xe) van der Waals complexes

Author keywords

CCSD(T) method; Depth of the potential well; Dissociation energy; MP2 method; Rg I2 van der Waals complexes; Spectroscopic constants

Indexed keywords


EID: 80051882343     PISSN: 1432881X     EISSN: None     Source Type: Journal    
DOI: 10.1007/s00214-011-0978-9     Document Type: Article
Times cited : (14)

References (15)
  • 3
    • 1642534570 scopus 로고    scopus 로고
    • 2 in Xe on an abinitio-based potential function
    • 2 in Xe on an abinitio-based potential function. Chem Phys Lett 383: 326-331.
    • (2004) Chem Phys Lett , vol.383 , pp. 326-331
    • Li, S.1    Thompson, W.H.2
  • 7
    • 0001195575 scopus 로고
    • On the determination of molecular fields
    • Lennard-Jones JE (1924) On the determination of molecular fields. Proc R. Soc. Lond. A 106(738): 463-477.
    • (1924) Proc R. Soc. Lond. A , vol.106 , Issue.738 , pp. 463-477
    • Lennard-Jones, J.E.1
  • 10
    • 0011682081 scopus 로고
    • Quadratic configuration interaction. A general technique for determining electron correlation energies
    • Pople JA, Head-Gordon M, Raghavachari K (1987) Quadratic configuration interaction. A general technique for determining electron correlation energies. J Chem Phys 87: 5968-5975.
    • (1987) J Chem Phys , vol.87 , pp. 5968-5975
    • Pople, J.A.1    Head-Gordon, M.2    Raghavachari, K.3
  • 11
    • 36449006622 scopus 로고
    • Coupled-cluster methods with noniterative triple excitations for restricted open-shell Hartree-Fock and other general single determinant reference functions. Energies and analytical gradients
    • Watts JD, Gauss J, Bartlett R (1993) Coupled-cluster methods with noniterative triple excitations for restricted open-shell Hartree-Fock and other general single determinant reference functions. Energies and analytical gradients. J Chem Phys 98: 8718-8733.
    • (1993) J Chem Phys , vol.98 , pp. 8718-8733
    • Watts, J.D.1    Gauss, J.2    Bartlett, R.3
  • 12
    • 84890021933 scopus 로고
    • Calculation of small molecular interactions by differences of separate total energies. Some procedures with reduced errors
    • Boys SF, Bernardi F (1970) Calculation of small molecular interactions by differences of separate total energies. Some procedures with reduced errors. Mol Phys 19: 553-566.
    • (1970) Mol Phys , vol.19 , pp. 553-566
    • Boys, S.F.1    Bernardi, F.2
  • 13
    • 0035249797 scopus 로고    scopus 로고
    • Correlation consistent valence basis sets for use with the Stuttgart-Dresden-Bonn relativistic effective core potentials: The atoms Ga-Kr and In-Xe
    • Martin JML, Sundermann A (2001) Correlation consistent valence basis sets for use with the Stuttgart-Dresden-Bonn relativistic effective core potentials: The atoms Ga-Kr and In-Xe. J Chem Phys 114: 3408-3420.
    • (2001) J Chem Phys , vol.114 , pp. 3408-3420
    • Martin, J.M.L.1    Sundermann, A.2
  • 14
    • 84944675147 scopus 로고
    • Ab initio energy-adjusted pseudopotentials for elements of groups 13-17
    • Bergner A, Dolg M, Kuechle W, Stoll H, Preuss H (1993) Ab initio energy-adjusted pseudopotentials for elements of groups 13-17. Mol Phys 80: 1431.
    • (1993) Mol Phys , vol.80 , pp. 1431
    • Bergner, A.1    Dolg, M.2    Kuechle, W.3    Stoll, H.4    Preuss, H.5


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.