Sökning: "Hartree-Fock"
Visar resultat 1 - 5 av 43 avhandlingar innehållade ordet Hartree-Fock.
1. Matrix Algebra for Quantum Chemistry
Sammanfattning : This thesis concerns methods of reduced complexity for electronic structure calculations. When quantum chemistry methods are applied to large systems, it is important to optimally use computer resources and only store data and perform operations that contribute to the overall accuracy. LÄS MER
2. Sparse Matrices in Self-Consistent Field Methods
Sammanfattning : This thesis is part of an effort to enable large-scale Hartree-Fock/Kohn-Sham (HF/KS) calculations. The objective is to model molecules and materials containing thousands of atoms at the quantum mechanical level. HF/KS calculations are usually performed with the Self-Consistent Field (SCF) method. LÄS MER
3. A study on the instabilities of the Hartree-Fock scheme
Sammanfattning : .... LÄS MER
4. General hartree-fock studies of the electron gas, model linear chains and chemisorption
Sammanfattning : .... LÄS MER
5. Gamow -Teller Beta Decay in Drip Line Nuclei
Sammanfattning : Before radioactive ion beams became available, the Gamow-Teller (GT) giant resonance was studied using charge-exchange reactions such as (p,n) and (He,t). In beta-stable nuclei, which can be used as targets, the GT giant resonance lies above the ground state of the mother nucleus. LÄS MER