On the convergence of the Hartree-Fock energy for negative ions using systematically constructed basis sets of primitive Gaussian-type functions
Author:
Publisher
Elsevier BV
Subject
Physical and Theoretical Chemistry,Condensed Matter Physics,Biochemistry
Reference16 articles.
1. Even‐tempered atomic orbitals. III. Economic deployment of Gaussian primitives in expanding atomic SCF orbitals
2. Even‐tempered atomic orbitals. VI. Optimal orbital exponents and optimal contractions of Gaussian primitives for hydrogen, carbon, and oxygen in molecules
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4. Universal atomic basis sets
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1. On the accuracy of the algebraic approximation in molecular electronic structure calculations: VIII. Matrix Hartree-Fock and many-body perturbation theory applied to a negative molecular ion;Journal of Physics B: Atomic, Molecular and Optical Physics;1999-01-01
2. Potential energy curves of H and H− interactions with He;Physics Letters A;1998-02
3. On the convergence of the many-body perturbation theory second-order energy component for negative ions using systematically constructed basis sets of primitive Gaussian-type functions;Advances in Quantum Chemistry;1998
4. Comparative study of errors in HeH? interaction energy calculations;International Journal of Quantum Chemistry;1998
5. Bond functions and many-body effects of the helium trimer;Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta);1997-09-15
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