Simplified box orbitals: A spatially restricted alternative to the slater-type orbitals-Reference-Cited by-同舟云学术

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Simplified box orbitals: A spatially restricted alternative to the slater-type orbitals

Published:2014-06-28 Issue:23 Volume:114 Page:1581-1593
ISSN:0020-7608
Container-title:International Journal of Quantum Chemistry
language:en
Short-container-title:Int. J. Quantum Chem.

Author:

García Victor¹,Zorrilla David¹,Fernández Manuel¹

Affiliation:

1. Departamento de Química-Física; Facultad de Ciencias, Campus Universitario Río San Pedro, Universidad de Cádiz; 11510 Puerto Real Cádiz Spain

Publisher

Wiley

Subject

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

Reference18 articles.

1. Small Gaussian Expansions of Slater‐Type Orbitals

2. Large gaussian expansions of sto’s for the calculation of many-center molecular integrals with slater basis

3. Numerical atomic basis orbitals from H to Kr

4. Numerical atomic orbitals for linear-scaling calculations

5. \mathcal{O}(N) methods in electronic structure calculations

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1. Correlation between reactivity descriptors and electronic pressures: A different application of SBO orbitals;International Journal of Quantum Chemistry;2024-07-22

2. Property‐oriented basis sets for computation of atomization energies;Journal of Computational Chemistry;2021-08-26

3. Software to obtain spatially localized functions from different radial functions;Journal of Computer-Aided Molecular Design;2020-01-02

4. Spatially restricted Double Z‐Simplified Box Orbital basis sets: Optimization and comparison with some standard basis sets;International Journal of Quantum Chemistry;2019-12-18

5. Simplified box orbitals for molecules containing atoms beyond Ar;Molecular Physics;2018-06-06

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