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Density-functional theory for electrons = basic theory and new formalism /

Record Type:	Electronic resources : Monograph/item
Title/Author:	Density-functional theory for electrons/ by Hideaki Takahashi.
Reminder of title:	basic theory and new formalism /
Author:	Takahashi, Hideaki.
Published:	Singapore :Springer Nature Singapore : : 2025.,
Description:	xv, 265 p. :ill., digital ;24 cm.
[NT 15003449]:	Wave-function theory vs Density-functional theory -- Static Correlation -- Foundation of the Density-Functional Theory on the Energy Electron Density -- Functional Development for Static Correlation -- Functional Development for Kinetic Energy -- Summary and Perspective.
Contained By:	Springer Nature eBook
Subject:	Density functionals. -
Online resource:	https://doi.org/10.1007/978-981-95-1229-4
ISBN:	9789819512294

Density-functional theory for electrons = basic theory and new formalism /
Takahashi, Hideaki.

Density-functional theory for electronsbasic theory and new formalism /[electronic resource] :by Hideaki Takahashi. - Singapore :Springer Nature Singapore :2025. - xv, 265 p. :ill., digital ;24 cm.

Wave-function theory vs Density-functional theory -- Static Correlation -- Foundation of the Density-Functional Theory on the Energy Electron Density -- Functional Development for Static Correlation -- Functional Development for Kinetic Energy -- Summary and Perspective.

In this book, the author provides a detailed review and discussion on new density-functional theory (DFT) for electrons, where electron distribution on the energy coordinate, instead of the electron density, plays a fundamental role. The book also includes a review of the currently prevailing DFT to make comparisons with the new theory. A particular emphasis is placed on the discussion on the advantage of the new theory in solving the toughest problems in the current DFT. Explicitly, it is suggested in the book that the new theory has a potential to solve the static correlation errors which arise in the description of chemical bonds through the current DFT. Some prototypes of the functionals are presented in the book. The theory is also utilized to make a contribution to the development of the kinetic energy functional known as the most difficult issue in DFT. The book offers a lot of helpful explanations of the new theory for the researchers and students to understand and utilize the theory for their future developments.

ISBN: 9789819512294

Standard No.: 10.1007/978-981-95-1229-4doiSubjects--Topical Terms:

588756
Density functionals.

LC Class. No.: QD462.6.D45 / T35 2025

Dewey Class. No.: 541.28

Density-functional theory for electrons = basic theory and new formalism /
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245 1 0 $a Density-functional theory for electrons $h [electronic resource] : $b basic theory and new formalism / $c by Hideaki Takahashi.
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300 $a xv, 265 p. : $b ill., digital ; $c 24 cm.
505 0 $a Wave-function theory vs Density-functional theory -- Static Correlation -- Foundation of the Density-Functional Theory on the Energy Electron Density -- Functional Development for Static Correlation -- Functional Development for Kinetic Energy -- Summary and Perspective.
520 $a In this book, the author provides a detailed review and discussion on new density-functional theory (DFT) for electrons, where electron distribution on the energy coordinate, instead of the electron density, plays a fundamental role. The book also includes a review of the currently prevailing DFT to make comparisons with the new theory. A particular emphasis is placed on the discussion on the advantage of the new theory in solving the toughest problems in the current DFT. Explicitly, it is suggested in the book that the new theory has a potential to solve the static correlation errors which arise in the description of chemical bonds through the current DFT. Some prototypes of the functionals are presented in the book. The theory is also utilized to make a contribution to the development of the kinetic energy functional known as the most difficult issue in DFT. The book offers a lot of helpful explanations of the new theory for the researchers and students to understand and utilize the theory for their future developments.
650 0 $a Density functionals. $3 588756
650 0 $a Electrons. $3 516581
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650 2 4 $a Computational Chemistry. $3 3595554
650 2 4 $a Electronic Structure Calculations. $3 3601508
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950 $a Chemistry and Materials Science (SpringerNature-11644)