메뉴 건너뛰기




Volumn 40, Issue 5, 1997, Pages 554-560

Ab initio intermolecular potential energy surface of He-LiH

Author keywords

He LiH; Intermolecular interaction; MPPT method; Quantum chemistry ab initio calculation

Indexed keywords


EID: 0347585026     PISSN: 10069291     EISSN: None     Source Type: Journal    
DOI: 10.1007/BF02875427     Document Type: Article
Times cited : (3)

References (12)
  • 2
    • 0001758232 scopus 로고
    • Origins of structure and energetics of van der Waals clusters from ab initio calculations
    • Chalasinski, G., Szczesniak, M., Origins of structure and energetics of van der Waals clusters from ab initio calculations, Chemical Reviews, 1994, 94: 1723.
    • (1994) Chemical Reviews , vol.94 , pp. 1723
    • Chalasinski, G.1    Szczesniak, M.2
  • 3
    • 36749114946 scopus 로고
    • Rotationally inelastic collisions of LiH with He(I): Ab initio potential energy surfaces
    • Silver, D.M., Rotationally inelastic collisions of LiH with He(I): ab initio potential energy surfaces, J. Chem. Phys., 1980, 72: 6445.
    • (1980) J. Chem. Phys. , vol.72 , pp. 6445
    • Silver, D.M.1
  • 4
    • 0002738391 scopus 로고
    • Spin coupled valence bond theory of van der Waals systems: Application to LiHHe
    • Matias, M.A., Raimondi, M., Tornaghi, E. et al., Spin coupled valence bond theory of van der Waals systems: application to LiHHe, Mol. Phys., 1994, 83: 89.
    • (1994) Mol. Phys. , vol.83 , pp. 89
    • Matias, M.A.1    Raimondi, M.2    Tornaghi, E.3
  • 6
    • 0002909993 scopus 로고
    • Polarized basis sets for accurate predictions of molecular electric properties: Electric moments of the LiH molecule
    • Roos, B.O., Sadlej, A., Polarized basis sets for accurate predictions of molecular electric properties: Electric moments of the LiH molecule, J. Chem. Phys., 1985, 94: 43.
    • (1985) J. Chem. Phys. , vol.94 , pp. 43
    • Roos, B.O.1    Sadlej, A.2
  • 7
    • 36549092840 scopus 로고
    • The intermolecular potential of Ar-HCl: Determination from high-resolution spectroscopy
    • Huston, J.M., The intermolecular potential of Ar-HCl: Determination from high-resolution spectroscopy, J. Chem. Phys., 1988, 89: 4550.
    • (1988) J. Chem. Phys. , vol.89 , pp. 4550
    • Huston, J.M.1
  • 8
    • 84890021933 scopus 로고
    • The calculation of small molecular interactions by the differences of separate total energies: Some procedures with reduced errors
    • Boys, S.F., Bernardi, F., The calculation of small molecular interactions by the differences of separate total energies: Some procedures with reduced errors, Mol. Phys., 1970, 19: 553.
    • (1970) Mol. Phys. , vol.19 , pp. 553
    • Boys, S.F.1    Bernardi, F.2
  • 11
    • 36549091857 scopus 로고
    • An improved simple model for the van der Waals potential based on universal damping functions for the dispersion coefficients
    • Tang, K.T., Toennies, J.P., An improved simple model for the van der Waals potential based on universal damping functions for the dispersion coefficients, J. Chem. Phys., 1984, 80: 3726.
    • (1984) J. Chem. Phys. , vol.80 , pp. 3726
    • Tang, K.T.1    Toennies, J.P.2
  • 12
    • 0011089067 scopus 로고
    • Intermolecular forces from the spectroscopy of van der Waals molecules
    • Huston, J.M., Intermolecular forces from the spectroscopy of van der Waals molecules, Annu. Rev. Phys. Chem., 1990, 41: 123.
    • (1990) Annu. Rev. Phys. Chem. , vol.41 , pp. 123
    • Huston, J.M.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.