DOI: 10.1063/1.529313. Coherent state formulation of multiconfiguration states

Coherent state formulation of multiconfiguration states

10.1063/1.529313

Crossref journal-article

AIP Publishing

Journal of Mathematical Physics (317)

Abstract

The theory of vector coherent states is applied to multiconfiguration states that are given a complex parametrization, based on the underlying special linear group. Using the time-dependent variational principle, equations of motion for such states are formulated as evolution equations in a generalized phase space. The classical Hamiltonian for these equations is given in terms of the reduced first- and second-order density matrices, which can be expressed in terms of partial derivatives with respect to the group parameters of the overlap kernel. The multiconfiguration self-consistent-field (MCSCF) and configuration interaction (CI) equations arise as special cases of these equations. Using the coherent state formulation we obtain very compact and numerically efficient expressions for the time-dependent quantum mechanical description of chemical reactions.

Bibliography

Deumens, E., Ãhrn, Y., & Weiner, B. (1991). Coherent state formulation of multiconfiguration states. Journal of Mathematical Physics, 32(5), 1166â1175.

Authors 3

E. Deumens (first)
Y. Öhrn (additional)
B. Weiner (additional)

References 13 Referenced 36

{'key': '2024020602391681600_r1'}
10.1007/BF01645091 / Commun. Math. Phys. (1972)
{'key': '2024020602391681600_r3'}
{'key': '2024020602391681600_r4'}
10.1063/1.526702 / J. Math. Phys. (1985)
{'key': '2024020602391681600_r6'}
10.1063/1.528066 / J. Math. Phys. (1988)
10.1021/j100322a029 / J. Phys. Chem. (1988)
{'key': '2024020602391681600_r9'}
{'key': '2024020602391681600_r10'}
{'key': '2024020602391681600_r11'}
{'key': '2024020602391681600_r12'}
10.1016/0166-1280(89)80039-9 / J. Mol. Struct. (1989)

Dates

Type	When
Created	23 years, 1 month ago (July 26, 2002, 8:26 a.m.)
Deposited	1 year, 7 months ago (Feb. 5, 2024, 9:39 p.m.)
Indexed	1 year ago (Aug. 8, 2024, 3:53 a.m.)
Issued	34 years, 4 months ago (May 1, 1991)
Published	34 years, 4 months ago (May 1, 1991)
Published Print	34 years, 4 months ago (May 1, 1991)

Funders 0

None

BibTeX

@article{Deumens_1991, title={Coherent state formulation of multiconfiguration states}, volume={32}, ISSN={1089-7658}, url={http://dx.doi.org/10.1063/1.529313}, DOI={10.1063/1.529313}, number={5}, journal={Journal of Mathematical Physics}, publisher={AIP Publishing}, author={Deumens, E. and Öhrn, Y. and Weiner, B.}, year={1991}, month=may, pages={1166–1175} }

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