Implementation of atomic basis set composed of 1s Gaussian and 1s Slater-type orbitals to carry out quantum mechanics molecular calculations
Author:
Publisher
Wiley
Subject
Computational Mathematics,General Chemistry
Reference14 articles.
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5. The reconciliation of FSGO and SCF methods, and evaluation of the Hartree—Fock energy limit by using entirely the FSGO method
Cited by 4 articles. 订阅此论文施引文献 订阅此论文施引文献,注册后可以免费订阅5篇论文的施引文献,订阅后可以查看论文全部施引文献
1. A Basis Sets Composed of Only 1s Slater Orbitals and 1s Gaussian Orbitals to Perform Molecular Calculations, SCF-LCAO Approach;Proceedings of MEST 2012: Exponential Type Orbitals for Molecular Electronic Structure Theory;2013
2. A new algorithm to evaluate bielectronic integrals with 1sSlater-type orbitals obtained by the integral transforms;International Journal of Quantum Chemistry;2004
3. Advances in theoretical and physical aspects of spin-spin coupling constants;Annual Reports on NMR Spectroscopy;2000
4. The floating spherical Gaussian orbital (FSGO) method;Chemical Modelling
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