TY - JOUR
T1 - Dynamic mean-field models with correlated modes
AU - Vekhter, B.
AU - Ratner, Mark A.
AU - Gerber, R. B.
PY - 1993
Y1 - 1993
N2 - We discuss a generalized dynamic mean-field method combining the advantages of explicit pair correlations and of configuration interaction. The approximate dynamical method, which we call time-dependent self-consistent-field configuration interaction (TDSCF2-CI), is constructed by including N(N-1)/2 TDSCF2 configurations. In each configuration a given pair of N coupled modes is directly (not in the mean-field approach) correlated; the N(N-1)/2 configurations include all such choices of pairs. As such, it has both the usual advantages of TDSCF and improvements due to some inclusion of correlations (exact results for any two-mode problem, improved descriptions of dynamical corrections, and greater accuracy). A three-mode model Hamiltonian is analyzed using five approximate treatments, i.e., the usual TDSCF, the three TDSCF2 forms, and the TDSCF2-CI one. The quantities for comparison with the exact results include the decay P(t) of the initial state, the time dependencies of the energies e(i) of individual modes, and the overlap S(t) of the corresponding approximate wave function with the exact one. We find, indeed, that explicit inclusion of pair correlations improves the description of the quantum dynamics of the system.
AB - We discuss a generalized dynamic mean-field method combining the advantages of explicit pair correlations and of configuration interaction. The approximate dynamical method, which we call time-dependent self-consistent-field configuration interaction (TDSCF2-CI), is constructed by including N(N-1)/2 TDSCF2 configurations. In each configuration a given pair of N coupled modes is directly (not in the mean-field approach) correlated; the N(N-1)/2 configurations include all such choices of pairs. As such, it has both the usual advantages of TDSCF and improvements due to some inclusion of correlations (exact results for any two-mode problem, improved descriptions of dynamical corrections, and greater accuracy). A three-mode model Hamiltonian is analyzed using five approximate treatments, i.e., the usual TDSCF, the three TDSCF2 forms, and the TDSCF2-CI one. The quantities for comparison with the exact results include the decay P(t) of the initial state, the time dependencies of the energies e(i) of individual modes, and the overlap S(t) of the corresponding approximate wave function with the exact one. We find, indeed, that explicit inclusion of pair correlations improves the description of the quantum dynamics of the system.
UR - http://www.scopus.com/inward/record.url?scp=0001499893&partnerID=8YFLogxK
U2 - 10.1063/1.465669
DO - 10.1063/1.465669
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AN - SCOPUS:0001499893
SN - 0021-9606
VL - 99
SP - 7916
EP - 7925
JO - The Journal of Chemical Physics
JF - The Journal of Chemical Physics
IS - 10
ER -