Application of the Unified Singlet and Triplet Electron-Pair Extrapolation Scheme with Basis Set Rehierarchization to Tensorial Properties-Reference-Cited by-同舟云学术

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Application of the Unified Singlet and Triplet Electron-Pair Extrapolation Scheme with Basis Set Rehierarchization to Tensorial Properties

Published:2015-02-06 Issue:7 Volume:119 Page:1208-1217
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Pansini F. N. N.¹,Neto A. C.²,Varandas A. J. C.²³

Affiliation:

1. CAPES Foundation, Ministry of Education of Brazil, Brasília-DF 70040-020, Brazil

2. Departamento de Física, Universidade Federal do Espírito Santo, 29075-910 Vitória, Brazil

3. Departamento de Química and Centro de Química, Universidade de Coimbra, 3004-535 Coimbra, Portugal

Funder

Fundação para a Ciência e a Tecnologia

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp512397n

Reference51 articles.

1. Comparison of the polarizabilities and hyperpolarizabilities obtained from finite basis set and finite difference Hartree–Fock calculations for diatomic molecules: III. The ground states of N2, CO and BF

2. Design and construction of molecular assemblies with large second-order optical nonlinearities. Quantum chemical aspects

3. Nonlinear optics in multipolar media: theory and experiments

4. Some considerations about Gaussian basis sets for electric property calculations

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2. Optimized Structural Data at the Complete Basis Set Limit via Successive Quadratic Minimizations;The Journal of Physical Chemistry A;2021-12-09

3. Extrapolation in quantum chemistry: Insights on energetics and reaction dynamics;Journal of Theoretical and Computational Chemistry;2020-09-02

4. Theoretical study of the electronic structure and electrical properties of Al-doped niobium clusters;Chemical Physics;2020-07

5. Optimal diffuse augmented atomic basis sets for extrapolation of the correlation energy;International Journal of Quantum Chemistry;2019-12-24

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