Polarization functions for gaussian basis sets for the first row atoms
- 1 August 1977
- journal article
- Published by Springer Nature in Theoretical Chemistry Accounts
- Vol. 45 (3) , 205-213
- https://doi.org/10.1007/bf02401401
Abstract
No abstract availableKeywords
This publication has 7 references indexed in Scilit:
- Molecular reorganization upon ionization and excitation: NH2, NH2+, and NH2− systemsThe Journal of Chemical Physics, 1975
- PNO–CI (pair natural orbital configuration interaction) and CEPA–PNO (coupled electron pair approximation with pair natural orbitals) calculations of molecular systems. II. The molecules BeH2, BH, BH3, CH4, CH−3, NH3 (planar and pyramidal), H2O, OH+3, HF and the Ne atomThe Journal of Chemical Physics, 1975
- The influence of polarization functions on molecular orbital hydrogenation energiesTheoretical Chemistry Accounts, 1973
- Gaussian Basis Functions for Use in Molecular Calculations. IV. The Representation of Polarization Functions for the First Row Atoms and HydrogenThe Journal of Chemical Physics, 1971
- Gaussian Basis Functions for Use in Molecular Calculations. I. Contraction of (9s5p) Atomic Basis Sets for the First-Row AtomsThe Journal of Chemical Physics, 1970
- Polarization functions for first and second row atoms in Gaussian type MO-SCF calculationsTheoretical Chemistry Accounts, 1970
- One-Electron Properties of Near-Hartree–Fock Wavefunctions. I. WaterThe Journal of Chemical Physics, 1968