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