Efficient calculation of the polarization induced by N coherent laser pulses

Gelin, Maxim F.; Egorova, Dassia; Domcke, Wolfgang

doi:doi:10.1063/1.3265213

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Stability of binary mixtures in electric field gradients

We consider the influence of electric field gradients on the phase behavior of nonpolar binary mixtures. Small fields give rise to smooth composition profiles, whereas large enough fields lead to a phase-separation transition. The critical field for demixing as well as the equilibrium phase-separation interface are given as a function of the various system parameters. We show how the phase diagram in the temperature-composition plane is affected by electric fields, assuming a linear or nonlinea...

Excited and ionized states of the ozone molecule with full triples coupled cluster methods

The role of connected triple excitations in coupled cluster (CC) calculations of vertical excitation energies, ionization potentials, and the electron affinity of the ozone molecule is evaluated. The equation of motion (EOM) and Fock space (FS) multireference CC approaches with full triples have been used in the calculations. The effect of the T3 and R3 operators significantly improve the EOM CCSD results for all considered quantities. A similar behavior is observed in the case of the FS-CC cal...

We have developed a novel method, the equation-of-motion phase-matching approach (EOM-PMA), for the calculation of the response of a quantum system to N coherent laser fields. The N-pulse EOM-PMA is limited to weak fields (its domain of validity is equivalent to the traditional nonlinear response functions approach), but allows for arbitrary pulse durations and automatically accounts for pulse-overlap effects. The N-pulse EOM-PMA allows the evaluation of the time evolution of the N-pulse-induced polarization in any phase-matching direction by performing 2^N−1 independent propagations of certain auxiliary density matrices. The N-pulse EOM-PMA can straightforwardly be incorporated into codes which provide the time evolution of the density matrix of material systems of interest and can efficiently be implemented on parallel computers.

Article Outline

INTRODUCTION
CALCULATION OF THE N -PULSE-INDUCED POLARIZATION IN A SPECIFIC PHASE-MATCHING DIRECTION
CALCULATION OF THE FIVE-PULSE-INDUCED NONLINEAR POLARIZATION
CONCLUSIONS

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KEYWORDS and PACS

Keywords

molecular moments, molecule-photon collisions, multiwave mixing

PACS

33.80.-b

Photon interactions with molecules
42.65.Jx

Beam trapping, self-focusing and defocusing; self-phase modulation
33.15.Kr

Electric and magnetic moments (and derivatives), polarizability, and magnetic susceptibility

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http://link.aip.org/link/doi/10.1063/1.3265213

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0021-9606 (print)

1089-7690 (online)

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American Institute of Physics

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