Author： Jaszuński M. McWeeny R.
Publisher： Taylor & Francis Ltd
ISSN： 1362-3028
Source： Molecular Physics, Vol.46, Iss.4, 1982-07, pp. : 863-873
Disclaimer: Any content in publications that violate the sovereignty, the constitution or regulations of the PRC is not accepted or approved by CNPIEC.
Abstract
Some theoretical and computational aspects of MC TDHF theory are analysed and two ways of solving the resulting equations are discussed. Numerical applications to the helium atom and the hydrogen molecule show that the frequency-dependent dipole polarizabilities can be obtained easily and with high accuracy in this approach. The polarizabilities at pure imaginary frequency are used to calculate the C 6 coefficients for He-He, He-H 2 and H 2 -H 2 interactions, also with high accuracy.
Related content
Time-dependent Hartree-Fock theory
Molecular Physics, Vol. 7, Iss. 6, 1964-01 ,pp. :
Access to resources
Recommend
Time-dependent Hartree-Fock calculations of dispersion energy
Molecular Physics, Vol. 55, Iss. 6, 1985-08 ,pp. :
Variational time-dependent Hartree-Fock calculations
By Watson D.K. Stewart R.F. Dalgarno A.
Molecular Physics, Vol. 32, Iss. 6, 1976-12 ,pp. :
Variational approximations to time-dependent Hartree-Fock theory
Molecular Physics, Vol. 25, Iss. 2, 1973-02 ,pp. :
Simplified time-dependent Hartree-Fock calculations for atomic systems
Molecular Physics, Vol. 30, Iss. 3, 1975-09 ,pp. :