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Multiconfigurational Hartree–Fock response functions

✍ Scribed by Poul Jørgensen; Peter Swanstrøm; Danny L. Yeager; Jeppe Olsen

Book ID
104580936
Publisher
John Wiley and Sons
Year
1983
Tongue
English
Weight
566 KB
Volume
23
Category
Article
ISSN
0020-7608

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✦ Synopsis

Abstract

The linear, quadratic, and cubic response of a multiconfigurational Hartree–Fock state to a time independent one‐electron perturbation has been derived. A comparison between the exact response functions as obtained from Rayleigh–Schrödinger perturbation theory and the multiconfigurational Hartree–Fock response functions allows a identification of matrix elements of the perturbation operator between the ground and excited states and between excited states. We discuss some ambiguities which result from such an identification.

📜 SIMILAR VOLUMES

A multiconfigurational time-dependent ha
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✍ Danny L. Yeager; Poul Jørgensen 📂 Article 📅 1979 🏛 Elsevier Science 🌐 English ⚖ 340 KB

## An cltension of the time-dependent Hartree-Focii approximation to employ a multimnti~ur~ttin Ihrlree-Fock state as reference state has been devefoped-Preliminary multicontigxation time-dependent Hartree-Fock calculations wirh the round state of the Be atom using the configurations Is' and 7~' s

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## Abstract Recent progress in multiconfiguration time‐dependent Hartree–Fock (MC–TDHF) theory is reviewed. The generality of a formalism first put forward by Moccia [Int. J. Quantum Chemistry **8**, 293 (1974)] is emphasized, and illustrative applications are discussed. A calculation of the freque