相关参考文献
注意:仅列出部分参考文献,下载原文获取全部文献信息。Quasienergy formulation of damped response theory
Kasper Kristensen et al.
JOURNAL OF CHEMICAL PHYSICS (2009)
Gauge-Origin Independent Formulation and Implementation of Magneto-Optical Activity within Atomic-Orbital-Density Based Hartree-Fock and Kohn-Sham Response Theories
Thomas Kjaergaard et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2009)
Application of magnetically perturbed time-dependent density functional theory to magnetic circular dichroism. III. Temperature-dependent magnetic circular dichroism induced by spin-orbit coupling
Michael Seth et al.
JOURNAL OF CHEMICAL PHYSICS (2008)
Efficient elimination of response parameters in molecular property calculations for variational and nonvariational energies
Kasper Kristensen et al.
JOURNAL OF CHEMICAL PHYSICS (2008)
Complex polarization propagator calculations of magnetic circular dichroism spectra
Harald Solheim et al.
JOURNAL OF CHEMICAL PHYSICS (2008)
Application of magnetically perturbed time-dependent density functional theory to magnetic circular dichroism:: Calculation of B terms
Michael Seth et al.
JOURNAL OF CHEMICAL PHYSICS (2008)
Application of magnetically perturbed time-dependent density functional theory to magnetic circular dichroism. II. Calculation of A terms
Michael Seth et al.
JOURNAL OF CHEMICAL PHYSICS (2008)
First-principles calculations of magnetic circular dichroism spectra
Dmitry Ganyushin et al.
JOURNAL OF CHEMICAL PHYSICS (2008)
A density matrix-based quasienergy formulation of the Kohn-Sham density functional response theory using perturbation- and time-dependent basis sets
Andreas J. Thorvaldsen et al.
JOURNAL OF CHEMICAL PHYSICS (2008)
The A and B terms of magnetic circular dichroism revisited
Harald Solheim et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2008)
An IEF-PCM study of solvent effects on the Faraday B term of MCD
Harald Solheim et al.
THEORETICAL CHEMISTRY ACCOUNTS (2008)
Calculation of the magnetic circular dichroism B term from the imaginary part of the Verdet constant using damped time-dependent density functional theory
Mykhaylo Krykunov et al.
JOURNAL OF CHEMICAL PHYSICS (2007)
Formulation of magnetically perturbed time-dependent density functional theory
Michael Seth et al.
JOURNAL OF CHEMICAL PHYSICS (2007)
Calculation of the B term of magnetic circular dichroism.: A time-dependent density functional theory approach
Michael Seth et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2007)
Calculation of excitation energies of open-shell molecules with spatially degenerate ground states.: II.: Transformed reference via intermediate configuration Kohn-Sham time dependent density functional theory oscillator strengths and magnetic circular dichroism C terms
M Seth et al.
JOURNAL OF CHEMICAL PHYSICS (2006)
Nonlinear response theory with relaxation: The first-order hyperpolarizability
P Norman et al.
JOURNAL OF CHEMICAL PHYSICS (2005)
Theoretical studies on magnetic circular dichroism by the finite perturbation method with relativistic corrections
Y Honda et al.
JOURNAL OF CHEMICAL PHYSICS (2005)
Finite lifetime effects on the polarizability within time-dependent density-functional theory
L Jensen et al.
JOURNAL OF CHEMICAL PHYSICS (2005)
Calculation of Verdet constants with time-dependent density functional theory: Implementation and results for small molecules
M Krykunov et al.
JOURNAL OF CHEMICAL PHYSICS (2005)
Calculation of the A term of magnetic circular dichroism based on time dependent-density functional theory I.: Formulation and implementation
M Seth et al.
JOURNAL OF CHEMICAL PHYSICS (2004)
Relativistic effects on magnetic circular dichroism studied by GUHF/SECI method
Y Honda et al.
CHEMICAL PHYSICS LETTERS (2002)
Near-resonant absorption in the time-dependent self-consistent field and multiconfigurational self-consistent field approximations
P Norman et al.
JOURNAL OF CHEMICAL PHYSICS (2001)
Gauge-origin independent magneto-optical activity within coupled cluster response theory
S Coriani et al.
JOURNAL OF CHEMICAL PHYSICS (2000)