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Mathematical physics in theoretical chemistry/ edited by S.Blinder

Contributor(s): Blinder, Seymour, edMaterial type: Text

TextPublication details: Elsevier, 2019Description: 423 pISBN: 9780128136515Subject(s): Mathematical physics | Chemistry, Physical and theoretical--MathematicsOnline resources: Click here to access online

Contents:

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

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Holdings
Item type	Current library	Call number	Status	Date due	Barcode	Item holds
e-Books	Central Library, Sikkim University		Not for loan		E-991

Total holds: 0

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

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