On the orbital description of the 4s3d n+1 states of the transition metal atoms
- 1 March 1980
- journal article
- letter
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 72 (5), 3419-3420
- https://doi.org/10.1063/1.439529
Abstract
Multiconfiguration Hartree–Fock calculations are presented for the 3F state of Ti and the 2S state of Cu. (AIP)Keywords
This publication has 6 references indexed in Scilit:
- Model studies of π-bonded organometallic systems Mn-C2H2 and Mn-C2H4Molecular Physics, 1977
- A model transition metal-carbene system MnCH2Molecular Physics, 1977
- Gaussian basis sets for molecular calculations. The representation of 3d orbitals in transition-metal atomsThe Journal of Chemical Physics, 1977
- Oscillator strengths for2S-2P transitions in the copper sequenceJournal of Physics B: Atomic and Molecular Physics, 1977
- General contraction of Gaussian atomic orbitals: Core, valence, polarization, and diffuse basis sets; Molecular integral evaluationThe Journal of Chemical Physics, 1973
- Gaussian Basis Set for Molecular Wavefunctions Containing Third-Row AtomsThe Journal of Chemical Physics, 1970