Gauge-Origin Independent Formulation and Implementation of Magneto-Optical Activity within Atomic-Orbital-Density Based Hartree-Fock and Kohn-Sham Response Theories.
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The Dalton quantum chemistry program systemThree-photon circular dichroism: towards a generalization of chiroptical non-linear light absorption.Communication: fullerene resolution by the magnetic circular dichroism.Analytic calculations of nonlinear mixed electric and magnetic frequency-dependent molecular properties using London atomic orbitals: Buckingham birefringence.Nuclei-selected atomic-orbital response-theory formulation for the calculation of NMR shielding tensors using density-fitting.Molecular response properties from a Hermitian eigenvalue equation for a time-periodic Hamiltonian.Computation of magnetic circular dichroism by sum-over-states summations.The ab initio calculation of molecular electric, magnetic and geometric properties.
P2860
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P2860
Gauge-Origin Independent Formulation and Implementation of Magneto-Optical Activity within Atomic-Orbital-Density Based Hartree-Fock and Kohn-Sham Response Theories.
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2009 nî lūn-bûn
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name
Gauge-Origin Independent Formu ...... d Kohn-Sham Response Theories.
@en
Gauge-Origin Independent Formu ...... d Kohn-Sham Response Theories.
@nl
type
label
Gauge-Origin Independent Formu ...... d Kohn-Sham Response Theories.
@en
Gauge-Origin Independent Formu ...... d Kohn-Sham Response Theories.
@nl
prefLabel
Gauge-Origin Independent Formu ...... d Kohn-Sham Response Theories.
@en
Gauge-Origin Independent Formu ...... d Kohn-Sham Response Theories.
@nl
P2093
P356
P1476
Gauge-Origin Independent Formu ...... d Kohn-Sham Response Theories.
@en
P2093
Andreas J Thorvaldsen
Paweł Sałek
Poul Jørgensen
Thomas Kjærgaard
P304
P356
10.1021/CT9001625
P577
2009-07-06T00:00:00Z