(Q51860765)

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A density matrix-based quasienergy formulation of the Kohn-Sham density functional response theory using perturbation- and time-dependent basis sets.

scientific article published in December 2008

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Europe PubMed Central

PubMed publication ID

14 April 2018

http://europepmc.org/abstract/MED/19063545

A density matrix-based quasienergy formulation of the Kohn-Sham density functional response theory using perturbation- and time-dependent basis sets. (English)

1 reference

Europe PubMed Central

PubMed publication ID

14 April 2018

http://europepmc.org/abstract/MED/19063545

2

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Europe PubMed Central

PubMed publication ID

14 April 2018

http://europepmc.org/abstract/MED/19063545

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Europe PubMed Central

PubMed publication ID

14 April 2018

http://europepmc.org/abstract/MED/19063545

Poul Jørgensen

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Poul Jørgensen

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Europe PubMed Central

PubMed publication ID

14 April 2018

http://europepmc.org/abstract/MED/19063545

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Andreas J Thorvaldsen

1

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Europe PubMed Central

PubMed publication ID

14 April 2018

http://europepmc.org/abstract/MED/19063545

Kasper Kristensen

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Europe PubMed Central

PubMed publication ID

14 April 2018

http://europepmc.org/abstract/MED/19063545

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publication date

1 December 2008

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Europe PubMed Central

PubMed publication ID

14 April 2018

http://europepmc.org/abstract/MED/19063545

Journal of Chemical Physics

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Europe PubMed Central

PubMed publication ID

14 April 2018

http://europepmc.org/abstract/MED/19063545

129

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Europe PubMed Central

PubMed publication ID

14 April 2018

http://europepmc.org/abstract/MED/19063545

21

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Europe PubMed Central

PubMed publication ID

14 April 2018

http://europepmc.org/abstract/MED/19063545

214108

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Europe PubMed Central

PubMed publication ID

14 April 2018

http://europepmc.org/abstract/MED/19063545

Density-Functional Theory for Time-Dependent Systems

1 reference

https://api.crossref.org/works/10.1063%2F1.2996351

21 January 2018

Time-dependent density functional theory.

1 reference

https://api.crossref.org/works/10.1063%2F1.2996351

21 January 2018

Linear-scaling implementation of molecular response theory in self-consistent field electronic-structure theory.

1 reference

https://api.crossref.org/works/10.1063%2F1.2996351

21 January 2018

A density matrix-based method for the linear-scaling calculation of dynamic second- and third-order properties at the Hartree-Fock and Kohn-Sham density functional theory levels.

1 reference

https://api.crossref.org/works/10.1063%2F1.2996351

21 January 2018

Density matrix perturbation theory

1 reference

https://api.crossref.org/works/10.1063%2F1.2996351

21 January 2018

Ab initio linear scaling response theory: electric polarizability by perturbed projection

1 reference

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21 January 2018

Linear and nonlinear response functions for an exact state and for an MCSCF state

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21 January 2018

An analytical derivative procedure for the calculation of vibrational Raman optical activity spectra

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21 January 2018

Analytic calculations of vibrational hyperpolarizabilities in the atomic orbital basis.

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21 January 2018

An electronic Hamiltonian for origin independent calculations of magnetic properties

1 reference

https://api.crossref.org/works/10.1063%2F1.2996351

21 January 2018

Calculation of optical rotation with time-periodic magnetic-field-dependent basis functions in approximate time-dependent density-functional theory.

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https://api.crossref.org/works/10.1063%2F1.2996351

21 January 2018

Analytical time-dependent density functional derivative methods within the RI-J approximation, an approach to excited states of large molecules

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21 January 2018

Linear-scaling method for calculating nuclear magnetic resonance chemical shifts using gauge-including atomic orbitals within Hartree-Fock and density-functional theory.

1 reference

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21 January 2018

Molecular Electronic-Structure Theory

1 reference

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21 January 2018

Ab initio calculation of force constants and equilibrium geometries in polyatomic molecules

1 reference

https://api.crossref.org/works/10.1063%2F1.2996351

21 January 2018

Hartree-Fock and Kohn-Sham time-dependent response theory in a second-quantization atomic-orbital formalism suitable for linear scaling.

1 reference

https://api.crossref.org/works/10.1063%2F1.2996351

21 January 2018

Time-Dependent Optimized Effective Potential

1 reference

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21 January 2018

Adiabatic time-dependent density functional methods for excited state properties

1 reference

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21 January 2018

Identifiers

10.1063/1.2996351

1 reference

Europe PubMed Central

PubMed publication ID

14 April 2018

http://europepmc.org/abstract/MED/19063545

PubMed publication ID

1 reference

Europe PubMed Central

PubMed publication ID

14 April 2018

http://europepmc.org/abstract/MED/19063545

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