£114.00

Density Functional Theory - New Perspectives and Applications

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£114.00 £35.58 £52.69 £69.80 £86.91 £104.02 £121.13 05 August 2024 18 December 2024 03 May 2025 15 September 2025 29 January 2026

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Price range: £43 - £114

Price levels: 8 different prices over 543 days

Description

This book presents a comprehensive overview of density functional theory (DFT), from its basics to its practical application and implementation. It also discusses the breakthroughs in the field and the complete integration of physical and chemical aspects. It examines both orbital and time-dependent functions along with their variations according to semiquantitative analysis. The book also discusses analytical and computational techniques and principles, considering the classical and quantum approaches. Also covered are important topics such as HOMO (highest occupied molecular orbital), LUMO (lowest unoccupied molecular orbital), MEP (minimum energy paths), KS-DFT (Kohn-Sham density functional theory), UHFD (Unrestricted Hartree-Fock-Dirac), and Gaussian methods.

Product Specifications

Format
hardcover
Domain
Amazon UK
Release Date
24 January 2024
Listed Since
30 January 2024

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