Computational Quantum Chemistry

Computational Quantum Chemistry

Prasad, Ram Yatan; Pranita

Taylor & Francis Ltd

03/2021

691

Dura

Inglês

9780367679699

15 a 20 dias

1480

Descrição não disponível.
1. Quantum Theory 2. Wave-Particle Duality 3. Mathematical Techniques 4. Quantum Mechanical Operators 5. Postulates of Quantum Mechanics 6. The Schroedinger Equation 7. Playing with the Schroedinger Equation 8. Hydrogen Atom 9. Approximate Methods 10. Diatomic Molecules 11. Multielectronic Systems 12. Polyatomic Molecules 13. Hueckel Molecular Orbital Theory/Method 14. Density Functional Theory
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Highest Level Ab Initio Methods;Mathematical derivations;Gas Discharge Tube;Compton effect;Orbital Angular Momentum;Computational quantum chemistry;Wave Function;Photoelectric effect;Rayleigh Jeans Law;Eigen Function;Planck's Radiation Law;De Broglie Equation;Time Dependent Wave Function;Ground State Electron Density;Energy Functionals;Quantum Mechanical Operator;Uniform Electron Gas;GGA Functional;LSDA;Eigen Values;Black Body Radiation;Exchange Correlation Energy;Kohn Sham Energy;Ordinary Differential Equation;Heisenberg's Uncertainty Principle;Time Dependent Density Functional Theory;Quantum Mechanical Objects;External Potential