(Q51853042)

14 April 2018

title

An arbitrary order Douglas-Kroll method with polynomial cost. (English)

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author

Kimihiko Hirao

series ordinal

2

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author name string

Daoling Peng

series ordinal

1

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language of work or name

English

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publication date

1 January 2009

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Journal of Chemical Physics

published in

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volume

130

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issue

4

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page(s)

044102

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On the Dirac Theory of Spin 1/2 Particles and Its Non-Relativistic Limit

cites work

1 reference

A systematic sequence of relativistic approximations.

21 January 2018

1 reference

Infinite-order quasirelativistic density functional method based on the exact matrix quasirelativistic theory.

21 January 2018

1 reference

Making four- and two-component relativistic density functional methods fully equivalent based on the idea of "from atoms to molecule".

21 January 2018

1 reference

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

21 January 2018

1 reference

Relation between different variants of the generalized Douglas-Kroll transformation through sixth order.

21 January 2018

1 reference

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

21 January 2018

1 reference

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

21 January 2018

1 reference

21 January 2018

1 reference

The generalized Douglas–Kroll transformation

21 January 2018

1 reference

Exact decoupling of the Dirac Hamiltonian. I. General theory

21 January 2018

1 reference

Exact decoupling of the Dirac Hamiltonian. III. Molecular properties

21 January 2018

1 reference

Regular no-pair Dirac operators: Numerical study of the convergence of high-order Douglas–Kroll–Hess transformations

21 January 2018

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21 January 2018

Identifiers

DOI

10.1063/1.3068310

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14 April 2018