The CCSD(T) model with Cholesky decomposition of orbital energy denominators-Reference-Cited by-同舟云学术

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The CCSD(T) model with Cholesky decomposition of orbital energy denominators

Published:2010-11-23 Issue:2 Volume:111 Page:349-355
ISSN:0020-7608
Container-title:International Journal of Quantum Chemistry
language:en
Short-container-title:Int. J. Quantum Chem.

Author:

Cacheiro Javier López,Pedersen Thomas Bondo,Fernández Berta,De Merás Alfredo Sánchez,Koch Henrik

Publisher

Wiley

Subject

Physical and Theoretical Chemistry,Condensed Matter Physics,Atomic and Molecular Physics, and Optics

Reference20 articles.

1. Molecular Electronic-Structure Theory

2. Simplifications in the generation and transformation of two-electron integrals in molecular calculations

3. Reduced scaling in electronic structure calculations using Cholesky decompositions

4. Polarizability and optical rotation calculated from the approximate coupled cluster singles and doubles CC2 linear response theory using Cholesky decompositions

5. Polarizabilities of small annulenes from Cholesky CC2 linear response theory

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1. Cholesky Decomposition-Based Implementation of Relativistic Two-Component Coupled-Cluster Methods for Medium-Sized Molecules;Journal of Chemical Theory and Computation;2024-01-10

2. Development of accurate potentials for the physisorption of water on graphene;The Journal of Chemical Physics;2023-01-14

3. Automated Generation of Optimized Auxiliary Basis Sets for Long-Range-Corrected TDDFT Using the Cholesky Decomposition;Journal of Chemical Theory and Computation;2022-04-21

4. Optimization of the Linear-Scaling Local Natural Orbital CCSD(T) Method: Improved Algorithm and Benchmark Applications;Journal of Chemical Theory and Computation;2018-07-02

5. Potential models for the simulation of methane adsorption on graphene: development and CCSD(T) benchmarks;Physical Chemistry Chemical Physics;2018

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