Mathematical physics in theoretical chemistry/
edited by S.Blinder
- Elsevier, 2019.
- 423 p.
Chapter 1 - Introduction to the Hartree-Fock method
Chapter 2 - Slater and Gaussian basis functions and computation of molecular integrals
Chapter 3 - Post-Hartree-Fock methods: configuration interaction, many-body perturbation theory, coupled-cluster theory
Chapter 4 - Density functional theory
Chapter 5 - Vibrational energies and partition functions
Chapter 6 - Introduction to fixed-node quantum monte carlo
Chapter 7 - Personal computers in computational chemistry
Chapter 8 - Chemical applications of graph theory
Chapter 9 - Singularity analysis in quantum chemistry
Chapter 10 - Diagrams in coupled-cluster theory: Algebraic derivation of a new diagrammatic method for closed shells
Chapter 11 - Quantum chemistry on a quantum computer
9780128136515
Mathematical physics
Chemistry, Physical and theoretical--Mathematics