The computation of reaction between 2,4-TDI and 1-Butanol was repeated by Hartree-Fock
and MP2 method using a 6-31G(d,p) basis set.
Breit-Pauli results for [sup.
2N] implica una matriz grande, la aproximacion hecha por Hartree-Fock
brinda un punto de partida mas tratable para el calculo computacional.
method and symmetry breaking in quantum dots, Physica E 42, 606-609 (2010).
The computational cost of TD-DFT calculation is comparative to that of a Hartree- Fock- based single-excitation theory, such as, configuration interaction singles (CIS) or the time-dependent Hartree-Fock
(TD-HF) method and maintains a uniform accuracy for open-shell and closed-shell systems.
Readers are assumed to have a basic understanding of quantum chemistry, including Hartree-Fock
theory and correlated electronic structure methods.
Complete equilibrium geometries have been determined for both rotamers by ab initio calculations employing a variety of basis sets up to 6-311+G(2d,2p) at levels of restricted Hartree-Fock
(RHF) and/or Moller Plesset (MP) to second order.
The Cowan codes are based on the Hartree-Fock
approximation with some relativistic corrections .
Bogoliubov calculations in the Xe-Ba region.
For this edition, material on molecular spectroscopy is integrated into several chapters, and there is more emphasis on Hartree-Fock
calculations and the Hartree-Fock
The Brightsen model builds on the early cluster models of the Resonating Group Structure of John Wheeler  and the Linus Pauling Close-Packed Spheron Model , which predict mathematically that the wave function of a composite nucleus can be viewed quantum mechanically as a combination of partial wave functions that correspond to the multiple ways nucleons (protons, neutrons) can be distributed into close-packed clusters, thus rejecting the standard model Hartree-Fock
formalism of average field interactions between independent nucleons in nuclear shells.