Chemistry Scholarly Works: Recent submissions
Now showing items 501-520 of 629
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Spin-dependent localized Hartree-Fock density-functional calculation of singly, doubly, and triply excited and Rydberg states of He- and Li-like ions
(American Physical Society, 2005-02-28)A spin-dependent density-functional approach for the calculation of highly and multiply excited state of atomic system is proposed based on the localized Hartree-Fock density-functional method and Slater’s diagonal sum ... -
Spin-dependent localized Hartree-Fock density-functional approach for the accurate treatment of inner-shell excitation of closed-shell atoms
(American Physical Society, 2007-01-17)A spin-dependent localized Hartree-Fock density-functional approach is presented for the efficient and accurate treatment of inner-shell excited states of atomic systems. The approach is applied to the calculation of the ... -
Spectral and temporal structures of high-order harmonic generation of Na in intense mid-ir laser fields
(American Physical Society, 2001-06-05)We present a three-dimensional quantum study of high-order harmonic generation (HHG) of the Na atom in intense mid-ir laser fields. An accurate one-electron model potential is constructed for the description of the Na atom. ... -
Simplified realization of two-qubit quantum phase gate with four-level systems in cavity QED
(American Physical Society, 2004-10-14)We propose a method for realizing two-qubit quantum phase gate with 4-level systems in cavity QED. In this proposal, the two logical states of a qubit are represented by the two lowest levels of each system, and two ... -
Semiclassical many-mode Floquet theory. IV. Coherent population trapping and SU(3) dynamical evolution of dissipative three-level systems in intense bichromatic fields
(American Physical Society, 1985-07-01)The many-mode Floquet theory (MMFT) recently developed by authors is extended to incorporate the irreversible damping mechanisms for the nonperturbative treatment of the dynamical evolution of dissipative three-level systems ... -
Semiclassical many-mode Floquet theory. III. SU(3) dynamical evolution of three-level systems in intense bichromatic fields
(American Physical Society, 1985-02-01)The SU(3) dynamical evolution of three-level systems at two-photon resonance induced by two strong linearly polarized monochromatic fields is studied exactly by means of the semiclassical many-mode Floquet theory (MMFT) ... -
Self-interaction-free time-dependent density-functional theory for molecular processes in strong fields: High-order harmonic generation of H2 in intense laser fields
(American Physical Society, 2001-01-17)We present a self-interaction-free time-dependent density-functional theory (TDDFT) for nonperturbative treatment of multiphoton processes of many-electron molecular systems in intense laser fields. The time-dependent ... -
Rotational excitation of symmetric-top molecular ions by electron impact
(American Physical Society, 1975-08-01)The theory for the rotational excitation of symmetric-top molecular ions by electron impact is formulated within the Coulomb-Born approximation. Analytical expressions are derived for the rotational transitions induced by ... -
Rotational excitation of CH+ by electron impact
(American Physical Society, 1974-09-01)The cross sections for the rotational excitation of polar diatomic molecular ions by electron impact are formulated within the Coulomb-Born approximation. The cross sections are finite at threshold. Explicit calculations ... -
Role of the electronic structure and multielectron responses in ionization mechanisms of diatomic molecules in intense short-pulse lasers: An all-electron ab initio study
(American Physical Society, 2004-12-14)We present an all-electron ab initio study of multiphoton ionization (MPI) of diatomic molecules in intense laser pulses using the example of N2, O2, and F2, and the theoretical approach of time-dependent density-functional ... -
Relativistic density-functional theory with the optimized effective potential and self-interaction correction: Application to atomic structure calculations (Z=2–106)
(American Physical Society, 1998-02-01)We present a self-interaction-free relativistic density-functional theory (DFT). The theory is based on the extension of our recent nonrelativistic DFT treatment with optimized effective potential (OEP) and self-interaction ... -
Quantum-fluid-dynamics approach for strong-field processes: Application to the study of multiphoton ionization and high-order harmonic generation of He and Ne atoms in intense laser fields
(American Physical Society, 2002-03-18)We explore the feasibility of extending the quantum-fluid dynamics (QFD) approach for quantitative investigation of nonlinear optical processes of many-electron quantum systems in intense laser fields. Through the amalgamation ... -
Probing the spectral and temporal structures of high-order harmonic generation in intense laser pulses
(American Physical Society, 2000-01-05)We present an ab initio three-dimensional quantum study of high-order harmonic generation (HHG) of atomic H in intense pulsed laser fields. Accurate time-dependent wave functions are obtained by means of the time-dependent ... -
Probing the origin of elliptical high-order harmonic generation from aligned molecules in linearly polarized laser fields
(American Physical Society, 2010-10-18)A recent experiment [Phys. Rev. Lett. 102, 073902 (2009)] has demonstrated that elliptically polarized high-order harmonic generation can be produced from linearly polarized driving fields for aligned molecular systems. ... -
Precision calculation of above-threshold multiphoton ionization in intense short-wavelength laser fields: The momentum-space approach and time-dependent generalized pseudospectral method
(American Physical Society, 2011-01-19)We present an approach in momentum (P) space for the accurate study of multiphoton and above-threshold ionization (ATI) dynamics of atomic systems driven by intense laser fields. In this approach, the electron wave function ... -
Possible realization of entanglement, logical gates, and quantum-information transfer with superconducting-quantum-interference-device qubits in cavity QED
(American Physical Society, 2003-04-17)We present a scheme to achieve maximally entangled states, controlled phase-shift gate, and SWAP gate for two superconducting-quantum-interference-device (SQUID) qubits, by placing SQUIDs in a microwave cavity. We also ... -
Photoionization dynamics and angular squeezing phenomenon in intense long-wavelength laser fields
(American Physical Society, 2011-03-11)We develop a coherent-state Ehrenfest trajectory (CSET) approach for the nonperturbative study of full electronic and nuclear dynamics of molecules interacting with intense laser fields. In this approach, electrons and ... -
Optimization of high-order harmonic generation by genetic algorithm and wavelet time-frequency analysis of quantum dipole emission
(American Physical Society, 2001-07-13)We present an ab initio three-dimensional quantum study of the coherent control of high-order harmonic generation (HHG) processes in intense pulsed laser fields by means of the genetic algorithm optimization of the laser-pulse ... -
Nonlinear Schrödinger equation and dissipative quantum dynamics in periodic fields
(American Physical Society, 1989-10-15)The nonlinear dynamics of dissipative quantum systems in periodic fields is studied in the framework of a Gisin-like nonlinear Schrödinger equation with deterministic nonunitary quantum friction terms describing the ... -
Multiphoton ionization and high-order harmonic generation of He, Ne, and Ar atoms in intense pulsed laser fields: Self-interaction-free time-dependent density-functional theoretical approach
(American Physical Society, 2001-06-12)We present a detailed study of the multiphoton ionization and high-order harmonic generation (HHG) processes of rare-gas atoms (He, Ne, and Ar) in intense pulsed laser fields by means of a self-interaction-free time-dependent ...