The chemical Hamiltonian approach in density functional theory
- 9 December 1994
- journal article
- Published by Elsevier in Chemical Physics Letters
- Vol. 230 (6) , 485-490
- https://doi.org/10.1016/0009-2614(94)01201-6
Abstract
No abstract availableKeywords
This publication has 24 references indexed in Scilit:
- Structure of the ammonia dimer studied by density functional theoryInternational Journal of Quantum Chemistry, 1994
- A possible definition of basis set superposition errorChemical Physics Letters, 1994
- Density functional theory applied to proton-transfer systems. A numerical testChemical Physics Letters, 1993
- Structures of small water clusters using gradient-corrected density functional theoryChemical Physics Letters, 1993
- Comparison of a posteriori and a priori BSSE correction schemes for SCF intermolecular energiesJournal of Computational Chemistry, 1993
- Preliminary results on the performance of a family of density functional methodsThe Journal of Chemical Physics, 1992
- Gaussian density functional calculations on hydrogen-bonded systemsJournal of the American Chemical Society, 1992
- New algorithm for the optimization of geometries in local density functional theoryChemical Physics Letters, 1990
- The calculation of small molecular interactions by the differences of separate total energies. Some procedures with reduced errorsMolecular Physics, 1970
- Non-empirical molecular orbital calculations on the protonation of carbon monoxideChemical Physics Letters, 1969