Roothaan-Hartree-Fock wave functions for cations and anions in Slater-type basis sets with doubly even tempered exponents

Author:

Koga Toshikatsu,Shibata Eri,Thakkar Ajit J.

Publisher

Springer Science and Business Media LLC

Subject

Chiropractics,Physical and Theoretical Chemistry

Reference20 articles.

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2. Ruedenberg K, Raffenetti RC, Bardo RD (1973) in: Smith DW, McRae WB (eds) Energy, Structure, and Reactivity. Proc 1972 Boulder Summer Res Conf on Theoretical Chemistry. Wiley, NY, pp 164?169

3. Raffenetti RC, Ruedenberg K (1973) Even-Tempered Representation of Atomic Self-Consistent-Field Wavefunctions. Ames Laboratory, Iowa State University, Iowa

4. Raffenetti RC (1973) J Chem Phys 59:5936

5. Bardo RD, Ruedenberg K (1974) J Chem Phys 59:5956

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1. A review on non‐relativistic, fully numerical electronic structure calculations on atoms and diatomic molecules;International Journal of Quantum Chemistry;2019-05-21

2. Fully numerical Hartree‐Fock and density functional calculations. I. Atoms;International Journal of Quantum Chemistry;2019-04-11

3. Comment on “The cohesive energetics of solid cesium chloride” [J. Chem. Phys. 118, 2308 (2003)];The Journal of Chemical Physics;2003-10-22

4. Validity of B-splines as a universal basis set for atomic Hartree?Fock?Roothaan calculations;Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta);2003-07-01

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