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- W980123260 abstract "We devise a theory of x-ray absorption by a thermodynamic ensemble of symmetric-top molecules which are aligned by an intense, optical laser. Initially, the density matrix of the system is composed of the electronic ground state of the molecules and a thermal ensemble of rigid-rotor eigenstates. We formulate equations of motion of the two-color (laser plus x rays) rotational-electronic problem. The interaction with the laser is assumed to be nonresonant; it is described by an electric dipole polarizability tensor. X-ray absorption is approximated as a one-photon process. It is shown that the equations can be separated such that the interaction with the laser can be treated independently of the x rays. The laser-only density matrix is propagated numerically. After each time step, the x-ray absorption is calculated. We apply our theory to study adiabatic alignment of bromine molecules. The required polarizabilities are determined using the ab initio coupled-cluster linear response methods CCS, CC2, and CCSD. For the description of x-ray absorption on the sigma_g 1s --> sigma_u 4p resonance, a parameter-free two-level model is used for the electronic structure of the molecule. Our theory opens up novel perspectives for the quantum control of x-ray radiation." @default.
- W980123260 created "2016-06-24" @default.
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- W980123260 date "2007-11-21" @default.
- W980123260 modified "2023-10-16" @default.
- W980123260 title "Theory of x-ray absorption by laser-aligned molecules" @default.
- W980123260 hasPublicationYear "2007" @default.
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