(Q51950514)

English

Exact decoupling of the Dirac Hamiltonian. IV. Automated evaluation of molecular properties within the Douglas-Kroll-Hess theory up to arbitrary order.

scientific article published in February 2006

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scholarly article

1 reference

Europe PubMed Central

PubMed publication ID

18 April 2018

http://europepmc.org/abstract/MED/16483192

Exact decoupling of the Dirac Hamiltonian. IV. Automated evaluation of molecular properties within the Douglas-Kroll-Hess theory up to arbitrary order. (English)

1 reference

Europe PubMed Central

PubMed publication ID

18 April 2018

http://europepmc.org/abstract/MED/16483192

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object named as

Markus Reiher

2

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author name string

Alexander Wolf

1

1 reference

Europe PubMed Central

PubMed publication ID

18 April 2018

http://europepmc.org/abstract/MED/16483192

language of work or name

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publication date

1 February 2006

1 reference

Europe PubMed Central

PubMed publication ID

18 April 2018

http://europepmc.org/abstract/MED/16483192

Journal of Chemical Physics

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Europe PubMed Central

PubMed publication ID

18 April 2018

http://europepmc.org/abstract/MED/16483192

124

1 reference

Europe PubMed Central

PubMed publication ID

18 April 2018

http://europepmc.org/abstract/MED/16483192

6

1 reference

Europe PubMed Central

PubMed publication ID

18 April 2018

http://europepmc.org/abstract/MED/16483192

64103

1 reference

Europe PubMed Central

PubMed publication ID

18 April 2018

http://europepmc.org/abstract/MED/16483192

Applicability of the no-pair equation with free-particle projection operators to atomic and molecular structure calculations.

1 reference

https://api.crossref.org/works/10.1063%2F1.2161180

21 January 2018

Exact decoupling of the Dirac Hamiltonian. II. The generalized Douglas-Kroll-Hess transformation up to arbitrary order.

1 reference

https://api.crossref.org/works/10.1063%2F1.2161180

21 January 2018

Relativistic two-component calculations of electronic g-tensors that include spin polarization

1 reference

https://api.crossref.org/works/10.1063%2F1.2161180

21 January 2018

CODATA recommended values of the fundamental physical constants: 1998

1 reference

https://api.crossref.org/works/10.1063%2F1.2161180

21 January 2018

The generalized Douglas–Kroll transformation

1 reference

https://api.crossref.org/works/10.1063%2F1.2161180

21 January 2018

Exact decoupling of the Dirac Hamiltonian. I. General theory

1 reference

https://api.crossref.org/works/10.1063%2F1.2161180

21 January 2018

Exact decoupling of the Dirac Hamiltonian. III. Molecular properties

1 reference

https://api.crossref.org/works/10.1063%2F1.2161180

21 January 2018

Correlated ab initio calculations of spectroscopic parameters of SnO within the framework of the higher-order generalized Douglas–Kroll transformation

1 reference

https://api.crossref.org/works/10.1063%2F1.2161180

21 January 2018

Calculation of electric-field gradients based on higher-order generalized Douglas–Kroll transformations

1 reference

https://api.crossref.org/works/10.1063%2F1.2161180

21 January 2018

Identifiers

10.1063/1.2161180

1 reference

Europe PubMed Central

PubMed publication ID

18 April 2018

http://europepmc.org/abstract/MED/16483192

PubMed publication ID

1 reference

Europe PubMed Central

PubMed publication ID

18 April 2018

http://europepmc.org/abstract/MED/16483192

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