Spin‐dependent unitary group approach to the Pauli–Breit Hamiltonian. I. First order energy level shifts due to spin–orbit interactions

The Journal of Chemical Physics ◽

10.1063/1.464494 ◽

1993 ◽

Vol 98 (11) ◽

pp. 8843-8851 ◽

Author(s):

M. D. Gould ◽

J. S. Battle

Keyword(s):

Energy Level ◽

Unitary Group ◽

Group Approach ◽

First Order ◽

Unitary Group Approach ◽

Order Energy ◽

Level Shifts ◽

Spin Orbit Interactions

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Spin‐dependent unitary group approach to the Pauli–Breit Hamiltonian. II. First order energy level shifts due to spin–spin interaction

The Journal of Chemical Physics ◽

10.1063/1.465897 ◽

1993 ◽

Vol 99 (8) ◽

pp. 5983-5994 ◽

Author(s):

M. D. Gould ◽

J. S. Battle

Keyword(s):

Energy Level ◽

Unitary Group ◽

Spin Interaction ◽

Group Approach ◽

First Order ◽

Unitary Group Approach ◽

Order Energy ◽

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Calculations of atomic spin-orbit matrix elements in the unitary group approach

Journal of Computational Physics ◽

10.1016/0021-9991(81)90220-5 ◽

1981 ◽

Vol 40 (2) ◽

pp. 430-439 ◽

Author(s):

R.D Kent ◽

M Schlesinger ◽

G.W.F Drake

Keyword(s):

Unitary Group ◽

Matrix Elements ◽

Group Approach ◽

Atomic Spin ◽

Unitary Group Approach

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Spin−Orbit Configuration Interaction Using the Graphical Unitary Group Approach and Relativistic Core Potential and Spin−Orbit Operators

The Journal of Physical Chemistry A ◽

10.1021/jp9901242 ◽

1999 ◽

Vol 103 (29) ◽

pp. 5791-5800 ◽

Author(s):

Satoshi Yabushita ◽

Zhiyong Zhang ◽

Russell M. Pitzer

Keyword(s):

Configuration Interaction ◽

Unitary Group ◽

Group Approach ◽

Core Potential ◽

Unitary Group Approach ◽

Graphical Unitary Group Approach

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Generalizations of the direct CI method based on the graphical unitary group approach. I. Single replacements from a complete CI root function of any spin, first order wave functions

The Journal of Chemical Physics ◽

10.1063/1.437473 ◽

1979 ◽

Vol 70 (12) ◽

pp. 5391-5397 ◽

Author(s):

Per E. M. Siegbahn

Keyword(s):

Unitary Group ◽

Root Function ◽

Wave Functions ◽

Group Approach ◽

First Order ◽

Unitary Group Approach ◽

Graphical Unitary Group Approach

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Unitary Group Approach to Configuration Interaction Calculations of the Electronic Structure of Atoms and Molecules

Mathematical Frontiers in Computational Chemical Physics - The IMA Volumes in Mathematics and Its Applications ◽

10.1007/978-1-4684-6363-7_11 ◽

1988 ◽

pp. 300-349 ◽

Author(s):

Isaiah Shavitt

Keyword(s):

Electronic Structure ◽

Configuration Interaction ◽

Unitary Group ◽

Group Approach ◽

Atoms And Molecules ◽

Unitary Group Approach ◽

Configuration Interaction Calculations

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The unitary group approach in Configuration Interaction (CI) methods

Computer Physics Reports ◽

10.1016/0167-7977(84)90007-8 ◽

1984 ◽

Vol 1 (3-4) ◽

pp. 127-236 ◽

Author(s):

Michael A. Robb ◽

Ufuk Niazi

Keyword(s):

Configuration Interaction ◽

Unitary Group ◽

Group Approach ◽

Unitary Group Approach

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Unitary Group Approach to the Many-Electron Correlation Problem

Electrons in Finite and Infinite Structures ◽

10.1007/978-1-4684-2811-7_8 ◽

1977 ◽

pp. 411-429 ◽

Author(s):

J. Paldus

Keyword(s):

Electron Correlation ◽

Unitary Group ◽

Group Approach ◽

Unitary Group Approach ◽

Correlation Problem ◽

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Loop-driven graphical unitary group approach to the electron correlation problem, including configuration interaction energy gradients

10.2172/5703893 ◽

1979 ◽

Author(s):

B.R. Brooks

Keyword(s):

Interaction Energy ◽

Configuration Interaction ◽

Electron Correlation ◽

Unitary Group ◽

Group Approach ◽

Unitary Group Approach ◽

Correlation Problem ◽

Graphical Unitary Group Approach

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Time-Dependent Configuration Interaction Using the Graphical Unitary Group Approach: Nonlinear Electric Properties

Novel Electronic Structure Theory: General Innovations and Strongly Correlated Systems - Advances in Quantum Chemistry ◽

10.1016/bs.aiq.2017.06.003 ◽

2018 ◽

pp. 295-313 ◽

Author(s):

Patrick J. Lestrange ◽

Mark R. Hoffmann ◽

Xiaosong Li

Keyword(s):

Configuration Interaction ◽

Unitary Group ◽

Electric Properties ◽

Time Dependent ◽

Group Approach ◽

Unitary Group Approach ◽

Graphical Unitary Group Approach

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Unitary group approach to molecular electronic structure

Group Theoretical Methods in Physics - Lecture Notes in Physics ◽

10.1007/3-540-09238-2_15 ◽

2008 ◽

pp. 51-65 ◽

Author(s):

Josef Paldus

Keyword(s):

Electronic Structure ◽

Unitary Group ◽

Molecular Electronic ◽

Group Approach ◽

Unitary Group Approach ◽

Molecular Electronic Structure

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