An efficient method for calculating effective core potential integrals which involve projection operators-Reference-Cited by-同舟云学术

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An efficient method for calculating effective core potential integrals which involve projection operators

Published:1998-11 Issue:5-6 Volume:296 Page:445-451
ISSN:0009-2614
Container-title:Chemical Physics Letters
language:en
Short-container-title:Chemical Physics Letters

Author:

Skylaris Chris-Kriton,Gagliardi Laura,Handy Nicholas C.,Ioannou Andrew G.,Spencer Steven,Willetts Andrew,Simper Adrian M.

Publisher

Elsevier BV

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Reference30 articles.

1. Relativistic effects in structural chemistry

2. Regular Two-Component Pauli-Like Effective Hamiltonians in Dirac Theory

3. Quantum electrodynamical corrections to the fine structure of helium

4. Ab InitioEffective Potentials for Use in Molecular Calculations

5. Abinitioeffective core potentials: Reduction of all‐electron molecular structure calculations to calculations involving only valence electrons

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1. LIBGRPP: A Library for the Evaluation of Molecular Integrals of the Generalized Relativistic Pseudopotential Operator over Gaussian Functions;Symmetry;2023-01-09

2. Efficient Method for Calculating Effective Core Potential Integrals;The Journal of Physical Chemistry A;2018-02-21

3. Prescreening and efficiency in the evaluation of integrals over ab initio effective core potentials;The Journal of Chemical Physics;2017-08-21

4. Orbital angular momentum eigenfunctions for fast and numerically stable evaluations of closed-form pseudopotential matrix elements;The Journal of Chemical Physics;2017-08-21

5. Some Recent Developments in the Simplest-Level Electron Nuclear Dynamics Method;Advances in Quantum Chemistry;2013

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