(Q56838172)

https://api.crossref.org/works/10.1080%2F00268971003781571

Minimax principle for the Dirac equation.

21 January 2018

1 reference

https://api.crossref.org/works/10.1080%2F00268971003781571

Four-component relativistic theory for nuclear magnetic shielding constants: the orbital decomposition approach.

21 January 2018

1 reference

https://api.crossref.org/works/10.1080%2F00268971003781571

Four-component relativistic theory for nuclear magnetic shielding constants: critical assessments of different approaches.

21 January 2018

1 reference

https://api.crossref.org/works/10.1080%2F00268971003781571

Four-component relativistic theory for nuclear magnetic shielding: magnetically balanced gauge-including atomic orbitals.

21 January 2018

1 reference

https://api.crossref.org/works/10.1080%2F00268971003781571

Relativistic theory of nuclear magnetic resonance parameters in a Gaussian basis representation.

21 January 2018

1 reference

https://api.crossref.org/works/10.1080%2F00268971003781571

A fully relativistic method for calculation of nuclear magnetic shielding tensors with a restricted magnetically balanced basis in the framework of the matrix Dirac-Kohn-Sham equation.

21 January 2018

1 reference

https://api.crossref.org/works/10.1080%2F00268971003781571

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

https://api.crossref.org/works/10.1080%2F00268971003781571

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

21 January 2018

1 reference

https://api.crossref.org/works/10.1080%2F00268971003781571

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

21 January 2018

1 reference

https://api.crossref.org/works/10.1080%2F00268971003781571

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

21 January 2018

1 reference

https://api.crossref.org/works/10.1080%2F00268971003781571

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

https://api.crossref.org/works/10.1080%2F00268971003781571

Douglas–Kroll–Hess Theory: a relativistic electrons-only theory for chemistry

21 January 2018

1 reference

https://api.crossref.org/works/10.1080%2F00268971003781571

An arbitrary order Douglas-Kroll method with polynomial cost.

21 January 2018

1 reference

https://api.crossref.org/works/10.1080%2F00268971003781571

Accurate and efficient treatment of two-electron contributions in quasirelativistic high-order Douglas-Kroll density-functional calculations.

21 January 2018

1 reference

https://api.crossref.org/works/10.1080%2F00268971003781571

A systematic sequence of relativistic approximations.

21 January 2018

1 reference

https://api.crossref.org/works/10.1080%2F00268971003781571

Comment on "Quasirelativistic theory equivalent to fully relativistic theory" [J. Chem. Phys. 123, 241102 (2005)].

21 January 2018

1 reference

https://api.crossref.org/works/10.1080%2F00268971003781571

The molecular mean-field approach for correlated relativistic calculations.

21 January 2018

1 reference

https://api.crossref.org/works/10.1080%2F00268971003781571

Connection between the regular approximation and the normalized elimination of the small component in relativistic quantum theory.

21 January 2018

1 reference

https://api.crossref.org/works/10.1080%2F00268971003781571

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

21 January 2018

1 reference

https://api.crossref.org/works/10.1080%2F00268971003781571

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

21 January 2018

1 reference

https://api.crossref.org/works/10.1080%2F00268971003781571

Estimation of Lamb-shift effects for molecules: Application to the rotation-vibration spectra of water

21 January 2018

1 reference

https://api.crossref.org/works/10.1080%2F00268971003781571

Exact decoupling of the Dirac Hamiltonian. I. General theory

21 January 2018

1 reference

https://api.crossref.org/works/10.1080%2F00268971003781571

Exact decoupling of the Dirac Hamiltonian. III. Molecular properties

21 January 2018

1 reference

https://api.crossref.org/works/10.1080%2F00268971003781571

Kinetic balance in contracted basis sets for relativistic calculations

21 January 2018

1 reference

https://api.crossref.org/works/10.1080%2F00268971003781571