Multiconfigurational time-dependent Hartree-Fock

Multiconfigurational time-dependent Hartree-Fock method Semiclassical method... 

MCTDHF multiconfigurational time-dependent Hartree-Fock... 

D. L. Yeager and P. Jorgensen, Chem. Phys, Lett., 6S, 77 (1979). A Multiconfigurational Time-Dependent Hartree-Fock Approach. 

P. Albertsen, P. Jorgensen, and D. L. Yeager, Mol. Phys, 41, 409 (1980). Frequency Dependent Polarizabilities in a Multiconfigurational Time Dependent Hartree-Fock Approximation. 

M. Jaszunski, A. Rizzo, and D. L. Yeager,). Chem. Phys., 89, 3063 (1988). Application of the Multiconfiguration Time-Dependent Hartree-Fock Method to CH The Auxiliary Active Space. 

RPA, and CPHF. Time-dependent Hartree-Fock (TDFIF) is the Flartree-Fock approximation for the time-dependent Schrodinger equation. CPFIF stands for coupled perturbed Flartree-Fock. The random-phase approximation (RPA) is also an equivalent formulation. There have also been time-dependent MCSCF formulations using the time-dependent gauge invariant approach (TDGI) that is equivalent to multiconfiguration RPA. All of the time-dependent methods go to the static calculation results in the v = 0 limit. 

Approximations have been reviewed in the case of short deBroglie wavelengths for the nuclei to derive coupled quantal-semiclassical computational procedures, by choosing different types of many-electron wavefunctions. Time-dependent Hartree-Fock and time-dependent multiconfiguration Hartree-Fock formulations are possible, and lead to the Eik/TDHF and Eik/TDMCHF approximations, respectively. More generally, these can be considered special cases of an Eik/TDDM approach, in terms of a general density matrix for many-electron systems. 

Time-dependent Hartree-Fock (TDHF) approximation. See also Multiconfiguration time-dependent Hartree (MCTDH) method... 

As in the Hartree-Fock molecular orbital theory, which is based on the independent particle model, the above Hartree product method also lacks enough correlation among the orbitals, and thereby the resultant accuracy is limited. To overcome the drawback, one can take account of the interaction among possible configurations (or the Hartree products) as in the configuration interaction method and multiconfiguration SCF methods in electronic structure theory. The multiconfigulational time-dependent Hartree... 

E. Dalgaard,. Chem. Phys., 72, 816 (1980). Time-Dependent Multiconfigurational Hartree-Fock Theory. 

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