Formalism of the displaced squeezed Fock states for variational calculations of highly excited ro-vibrational levels: Diatomic molecules - Archive ouverte HAL
Article Dans Une Revue Physical Review A : Atomic, molecular, and optical physics [1990-2015] Année : 2008

Formalism of the displaced squeezed Fock states for variational calculations of highly excited ro-vibrational levels: Diatomic molecules

Résumé

A set of displaced squeezed number states is proposed as trial wave functions in variational calculations of ro-vibrational energy levels of diatomic molecules. By employing the ladder operator formalism, we construct such states as well as an algebraic Hamiltonian expressed in terms of normal-ordered boson operators. We also show that this algebraic Hamiltonian can be expanded in terms of pseudoladder operators a˜(), and a˜†(,) obtained via a generalized Bogoliubov transformation. In this case, the Hamiltonian matrix is built using the usual Fock basis set and the coherence and squeezing parameters  and  are optimized variationally. The convergence of the variational calculations is largely improved when using the displaced squeezed number states instead of the usual Fock ones. A class of generalized displaced squeezed number states is also considered, and some numerical applications are given.
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Dates et versions

hal-00453038 , version 1 (03-02-2010)

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M. Rey, Françoise Michelot, Vladimir G. Tyuterev. Formalism of the displaced squeezed Fock states for variational calculations of highly excited ro-vibrational levels: Diatomic molecules. Physical Review A : Atomic, molecular, and optical physics [1990-2015], 2008, 78, pp.022511. ⟨10.1103/PhysRevA.78.022511⟩. ⟨hal-00453038⟩
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