### Abstract

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.

Original language | English |
---|---|

Pages (from-to) | 7916-7925 |

Number of pages | 10 |

Journal | Journal of Chemical Physics |

Volume | 99 |

Issue number | 10 |

Publication status | Published - 1993 |

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### ASJC Scopus subject areas

- Atomic and Molecular Physics, and Optics

### Cite this

*Journal of Chemical Physics*,

*99*(10), 7916-7925.

**Dynamic mean-field models with correlated modes.** / Vekhter, B.; Ratner, Mark A; Gerber, R. B.

Research output: Contribution to journal › Article

*Journal of Chemical Physics*, vol. 99, no. 10, pp. 7916-7925.

}

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.

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UR - http://www.scopus.com/inward/citedby.url?scp=0001499893&partnerID=8YFLogxK

M3 - Article

VL - 99

SP - 7916

EP - 7925

JO - Journal of Chemical Physics

JF - Journal of Chemical Physics

SN - 0021-9606

IS - 10

ER -