Efficient evaluation of molecular integrals over s,p,d,f gaussian basis sets
- 31 December 1979
- journal article
- Published by Elsevier in Computers & Chemistry
- Vol. 3 (2-4) , 121-124
- https://doi.org/10.1016/0097-8485(79)85017-2
Abstract
No abstract availableThis publication has 13 references indexed in Scilit:
- The molecular structure of berylloceneJournal of the American Chemical Society, 1978
- One- and two-electron integrals over cartesian gaussian functionsJournal of Computational Physics, 1978
- Chemical bonding and reactivity in nickel-ethene complexes. An ab initio MO-SCF studyJournal of the American Chemical Society, 1977
- Transition Metal CompoundsPublished by Springer Nature ,1977
- Polyatom: A General Computer Program for Ab Initio CalculationsPublished by Springer Nature ,1977
- Evaluation of molecular integrals over Gaussian basis functionsThe Journal of Chemical Physics, 1976
- Contribution of atomic orbital integrals to symmetry orbital integralsThe Journal of Chemical Physics, 1973
- On the use of symmetry in SCF calculationsChemical Physics Letters, 1970
- Self-Consistent Molecular-Orbital Methods. III. Comparison of Gaussian Expansion and PDDO Methods Using Minimal STO Basis SetsThe Journal of Chemical Physics, 1969
- Gaussian-Expansion Methods for Molecular IntegralsJournal of the Physics Society Japan, 1966