Towards relativistic quantum chemistry. On the AB INITO calculation of relativistic electron wave functions for molecules in the hartree-fock-dirac approximation.

c©World Scientic Publishing Company RECENT ADVANCES IN ELECTRONIC STRUCTURE THEORY

Takao Tsuneda
Takahito Nakajima
Takao Tsuneda

January 2002

Accurate quantum computational chemistry has evolved dramatically. The size of molecular systems, wh...

c©World Scientic Publishing Company RECENT ADVANCES IN ELECTRONIC STRUCTURE THEORY

Takao Tsuneda
Takahito Nakajima
Takao Tsuneda

January 2002

Accurate quantum computational chemistry has evolved dramatically. The size of molecular systems, wh...

c©World Scientic Publishing Company RECENT ADVANCES IN ELECTRONIC STRUCTURE THEORY

Takahito Nakajima
Takao Tsuneda

January 2002

Accurate quantum computational chemistry has evolved dramatically. The size of molecular systems, wh...

Towards relativistic quantum chemistry. On the AB INITO calculation of relativistic electron wave functions for molecules in the hartree-fock-dirac approximation.

Aerts, Patrick Johan Coenraad,

January 1986

Computational Theoretical Chemnistry is a research area which, as far as electronic structure proble...

Towards relativistic quantum chemistry. On the AB INITO calculation of relativistic electron wave functions for molecules in the hartree-fock-dirac approximation.

Aerts, Patrick Johan Coenraad

January 1986

Computational Theoretical Chemnistry is a research area which, as far as electronic structure proble...

Towards relativistic quantum chemistry. On the AB INITO calculation of relativistic electron wave functions for molecules in the hartree-fock-dirac approximation.

Aerts, Patrick Johan Coenraad

January 1986

Computational Theoretical Chemnistry is a research area which, as far as electronic structure proble...

Towards relativistic quantum chemistry. On the AB INITO calculation of relativistic electron wave functions for molecules in the hartree-fock-dirac approximation.

Aerts, Patrick Johan Coenraad

January 1986

Computational Theoretical Chemnistry is a research area which, as far as electronic structure proble...

Relativistic quantum theory of atoms and molecules: theory and computation

Grant, Ian P

January 2007

This book presents a unified approach to modern relativistic theory of the electronic structure of a...

Relativity and Electron Correlation in Chemistry

Visscher, Lucas

January 1993

In this thesis we describe a method for relativistic quantum mechanical calculations on molecules. W...

Relativity and Electron Correlation in Chemistry

Visscher, Lucas,

January 1993

In this thesis we describe a method for relativistic quantum mechanical calculations on molecules. W...

Ideas of relativistic quantum chemistry

Liu, Wenjian

January 2010

The basic ideas of relativistic quantum chemistry are highlighted, with the most important ingredien...

Research Interests

January 2016

Theoretical and computational chemistry, in particular: electron correlation structure methods; auto...

Computational approaches of relativistic models in quantum chemistry

J. P. Desclaux A
J. Dolbeault B
M. J. Esteban B
P. Indelicato C
E. Sére ́ B

July 2015

This chapter is a review of some methods used for the computation of relativistic atomic and molecul...

DIRAC22

Jensen, H. J. Aa.
Bast, R.
Gomes, A. S. P.
Saue, T.
Visscher, L.
Aucar, I. A.
Bakken, V.
Chibueze, C.
Creutzberg, J.
Dyall, K. G.
Dubillard, S.
Ekström, U.
Eliav, E.
Enevoldsen, T.
Faßhauer, E.
Fleig, T.
Fossgaard, O.
Halbert, L.
Hedegård, E. D.
Helgaker, T.
Helmich-Paris, B.
Henriksson, J.
van Horn, M.
Iliaš, M.
Jacob, Ch. R.
Knecht, S.
Komorovský, S.
Kullie, O.
Lærdahl, J. K.
Larsen, C. V.
Lee, Y. S.
List, N. H.
Nataraj, H. S.
Nayak, M. K.
Norman, P.
Olejniczak, G.
Olsen, J.
Olsen, J. M. H.
Papadopoulos, A.
Park, Y. C.
Pedersen, J. K.
Pernpointner, M.
Pototschnig, J. V.
Di Remigio, R.
Repiský, M.
Ruud, K.
Sałek, P.
Schimmelpfennig, B.
Senjean, B.
Shee, A.
Sikkema, J.
Sunaga, A.
Thorvaldsen, A. J.
Thyssen, J.
van Stralen, J.
Vidal, M. L.
Villaume, S.
Visser, O.
Winther, T.
Yamamoto, S.
Yuan, X.

February 2022

DIRAC: Program for Atomic and Molecular Direct Iterative Relativistic All-electron Calculations. Pr...

A short review on computational issues arising in relativistic atomic and molecular physics

Esteban, Maria J.

January 2007

CRM Proceedings & Lecture Notes, vol 41This paper is a short review of computational issues arising ...

c©World Scientic Publishing Company RECENT ADVANCES IN ELECTRONIC STRUCTURE THEORY

Takao Tsuneda
Takahito Nakajima
Takao Tsuneda

January 2002

Accurate quantum computational chemistry has evolved dramatically. The size of molecular systems, wh...

c©World Scientic Publishing Company RECENT ADVANCES IN ELECTRONIC STRUCTURE THEORY

Takao Tsuneda
Takahito Nakajima
Takao Tsuneda

January 2002

Accurate quantum computational chemistry has evolved dramatically. The size of molecular systems, wh...

c©World Scientic Publishing Company RECENT ADVANCES IN ELECTRONIC STRUCTURE THEORY

Takahito Nakajima
Takao Tsuneda

January 2002

Accurate quantum computational chemistry has evolved dramatically. The size of molecular systems, wh...

Towards relativistic quantum chemistry. On the AB INITO calculation of relativistic electron wave functions for molecules in the hartree-fock-dirac approximation.

Aerts, Patrick Johan Coenraad,

January 1986

Computational Theoretical Chemnistry is a research area which, as far as electronic structure proble...

Towards relativistic quantum chemistry. On the AB INITO calculation of relativistic electron wave functions for molecules in the hartree-fock-dirac approximation.

Aerts, Patrick Johan Coenraad

January 1986

Computational Theoretical Chemnistry is a research area which, as far as electronic structure proble...

Towards relativistic quantum chemistry. On the AB INITO calculation of relativistic electron wave functions for molecules in the hartree-fock-dirac approximation.

Aerts, Patrick Johan Coenraad

January 1986

Computational Theoretical Chemnistry is a research area which, as far as electronic structure proble...

Towards relativistic quantum chemistry. On the AB INITO calculation of relativistic electron wave functions for molecules in the hartree-fock-dirac approximation.

Aerts, Patrick Johan Coenraad

January 1986

Computational Theoretical Chemnistry is a research area which, as far as electronic structure proble...

Relativistic quantum theory of atoms and molecules: theory and computation

Grant, Ian P

January 2007

This book presents a unified approach to modern relativistic theory of the electronic structure of a...

Relativity and Electron Correlation in Chemistry

Visscher, Lucas

January 1993

In this thesis we describe a method for relativistic quantum mechanical calculations on molecules. W...

Relativity and Electron Correlation in Chemistry

Visscher, Lucas,

January 1993

In this thesis we describe a method for relativistic quantum mechanical calculations on molecules. W...

Ideas of relativistic quantum chemistry

Liu, Wenjian

January 2010

The basic ideas of relativistic quantum chemistry are highlighted, with the most important ingredien...

Research Interests

January 2016

Theoretical and computational chemistry, in particular: electron correlation structure methods; auto...

Computational approaches of relativistic models in quantum chemistry

J. P. Desclaux A
J. Dolbeault B
M. J. Esteban B
P. Indelicato C
E. Sére ́ B

July 2015

This chapter is a review of some methods used for the computation of relativistic atomic and molecul...

DIRAC22

Jensen, H. J. Aa.
Bast, R.
Gomes, A. S. P.
Saue, T.
Visscher, L.
Aucar, I. A.
Bakken, V.
Chibueze, C.
Creutzberg, J.
Dyall, K. G.
Dubillard, S.
Ekström, U.
Eliav, E.
Enevoldsen, T.
Faßhauer, E.
Fleig, T.
Fossgaard, O.
Halbert, L.
Hedegård, E. D.
Helgaker, T.
Helmich-Paris, B.
Henriksson, J.
van Horn, M.
Iliaš, M.
Jacob, Ch. R.
Knecht, S.
Komorovský, S.
Kullie, O.
Lærdahl, J. K.
Larsen, C. V.
Lee, Y. S.
List, N. H.
Nataraj, H. S.
Nayak, M. K.
Norman, P.
Olejniczak, G.
Olsen, J.
Olsen, J. M. H.
Papadopoulos, A.
Park, Y. C.
Pedersen, J. K.
Pernpointner, M.
Pototschnig, J. V.
Di Remigio, R.
Repiský, M.
Ruud, K.
Sałek, P.
Schimmelpfennig, B.
Senjean, B.
Shee, A.
Sikkema, J.
Sunaga, A.
Thorvaldsen, A. J.
Thyssen, J.
van Stralen, J.
Vidal, M. L.
Villaume, S.
Visser, O.
Winther, T.
Yamamoto, S.
Yuan, X.

February 2022

DIRAC: Program for Atomic and Molecular Direct Iterative Relativistic All-electron Calculations. Pr...

A short review on computational issues arising in relativistic atomic and molecular physics

Esteban, Maria J.

January 2007

CRM Proceedings & Lecture Notes, vol 41This paper is a short review of computational issues arising ...

Takao Tsuneda
Takahito Nakajima
Takao Tsuneda

January 2002

Accurate quantum computational chemistry has evolved dramatically. The size of molecular systems, wh...

Takao Tsuneda
Takahito Nakajima
Takao Tsuneda

January 2002

Accurate quantum computational chemistry has evolved dramatically. The size of molecular systems, wh...

Takahito Nakajima
Takao Tsuneda

January 2002

Accurate quantum computational chemistry has evolved dramatically. The size of molecular systems, wh...

Towards relativistic quantum chemistry. On the AB INITO calculation of relativistic electron wave functions for molecules in the hartree-fock-dirac approximation.

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Towards relativistic quantum chemistry. On the AB INITO calculation of relativistic electron wave functions for molecules in the hartree-fock-dirac approximation.

Abstract

Extracted data

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