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IntechOpen Density Functional Theory - New Perspectives

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Description

Explore the fundamentals and advanced applications of density functional theory (DFT) with this comprehensive guide from IntechOpen. This book provides a detailed overview of DFT, ranging from basic principles to practical implementation and computational techniques. It integrates physical and chemical aspects to offer a complete understanding of the field, covering both classical and quantum approaches. Readers will examine orbital and time-dependent functions alongside semiquantitative analysis. The text addresses essential topics such as HOMO (highest occupied molecular orbital) and LUMO (lowest unoccupied molecular orbital), making it a valuable resource for those studying analytical and computational principles in physics and chemistry.

Key Features

Provides a comprehensive overview of density functional theory from basic concepts to practical implementation.

Integrates physical and chemical aspects to cover breakthroughs within the field of DFT.

Examines orbital and time-dependent functions including their variations through semiquantitative analysis.

Covers important scientific topics such as HOMO (highest occupied molecular orbital) and LUMO.

Discusses various analytical and computational techniques using both classical and quantum approaches.

Product Specifications

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

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No barcode data available

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