Price loading...

Density Functional Theory: Current Trends and Applications: Volume 25 (Theoretical and Computational Chemistry, Volume 25)

Physical Chemistry

Price data last checked 103 day(s) ago - refreshing...

View at Amazon

Price History & Forecast

No Price Data Available

Price history will appear here once data is collected from Amazon.

Price Distribution

No price data available for histogram

Description

Density Functional Theory: Current Trends and Applications first examines the foundational knowledge surrounding DFT, examining some of its key concepts, such as the Thomas–Fermi model and the Hohenberg–Kohn–Sham theory; looking at the wealth of exchange–correlation functionals; and the advantages and disadvantages of DFT compared to the MO (molecular orbital ) theory and other methods, before exploring the areas of future DFT development. The second section then examines the practical methods and approaches for DFT, looking at the types of density functionals, such as LSDA (local spin-density approximation), GGA (generalized gradient approximation), and meta-GGA functionals; hybrid functionals; DFTB (density functional tight binding) methods; dispersion-corrected functionals; time-dependent DFT; and the plane-wave approach. It also looks at the relationships between DFT and ab initio molecular dynamics and the QM/MM (quantum mechanics/molecular mechanics) approach. This book is designed for graduate- and postgraduate-level students and postdoctoral researchers principally studying computational and physical chemistry, who want to obtain an up-to-date overview and understanding of density functional and its applications. Provides a thorough and detailed explanation and overview of an important computational quantum mechanical modeling approach and its applications in chemistry Incorporates case studies of the practical applications of DFT and objectively weighs up its advantages and disadvantages and the recent and future potential advances Up to date volume focused more heavily on the chemistry applications of DFT than most existing available literature

Product Specifications

Format: paperback
ASIN: 0443189773
Category: Books > Subjects > Science, Nature & Maths > Chemistry > Physical Chemistry
Domain: Amazon UK
Release Date: 03 November 2025
Listed Since: 25 November 2023

Barcode

No barcode data available

Density Functional Theory: Current Trends and Applications: Volume 25 (Theoretical and Computational Chemistry, Volume 25)

Price History & Forecast

No Price Data Available

Price Distribution

Description

Product Specifications

Barcode

Similar Products You Might Like

Density Functional Theory: Modeling, Mathematical Analysis, Computational Methods, and Applications (Mathematics and Molecular Modeling)

Density Functional Theory in Quantum Chemistry

Density Functional Theory: An Advanced Course (Theoretical and Mathematical Physics)

Practical Aspects of Computational Chemistry I: An Overview of the Last Two Decades and Current Trends

Springer Practical Aspects of Computational Chemistry I Book

Recent Developments and Applications of Modern Density Functional Theory (Theoretical and Computational Chemistry): Volume 4

Computational Chemistry: Introduction to the Theory and Applications of Molecular and Quantum Mechanics

Density Functional Theory: A Practical Introduction

Conceptual Perspectives in Quantum Chemistry: v. 3

Practical Aspects of Computational Chemistry II: An Overview of the Last Two Decades and Current Trends

Springer Practical Aspects of Computational Chemistry II

Chemical Reactivity Theory: A Density Functional View

A Chemist's Guide to Density Functional Theory 2e

Fundamentals of Time-Dependent Density Functional Theory: 837 (Lecture Notes in Physics, 837)

Chemical Reactivity: Volume 1: Theories and Principles

Structural Chemistry: Principles, Methods, and Case Studies

Elsevier Chemical Reactivity Volume 2: Approaches and Applications

Time-Dependent Density-Functional Theory: Concepts and Applications (Oxford Graduate Texts)

Practical Aspects of Computational Chemistry V

Introduction to Computational Physical Chemistry

Principles and Applications of Quantum Chemistry

Springer Density Functional Theory of Molecules, Clusters, and Solids

The Fundamentals of Electron Density, Density Matrix and Density Functional Theory in Atoms, Molecules and the Solid State: 14 (Progress in Theoretical Chemistry and Physics, 14)

Conceptual Density Functional Theory and Its Application in the Chemical Domain