大葉大學圖書館 |

Electronic structure calculations for solids and molecules :theory and computational methods /

紀錄類型:	書目-語言資料,印刷品 : Monograph/item
杜威分類號:	541.22
書名/作者:	Electronic structure calculations for solids and molecules : : theory and computational methods // Jorge Kohanoff.
其他題名:	Electronic Structure Calculations for Solids & Molecules
作者:	Kohanoff, Jorge,
面頁冊數:	1 online resource (xxii, 348 pages) : : digital, PDF file(s).
附註:	Title from publisher's bibliographic system (viewed on 05 Oct 2015).
標題:	Hartree-Fock approximation.
標題:	Density functionals.
標題:	Condensed matter - Computer simulation.
ISBN:	9780511755613 (ebook)
摘要、提要註:	Electronic structure problems are studied in condensed matter physics and theoretical chemistry to provide important insights into the properties of matter. This 2006 graduate textbook describes the main theoretical approaches and computational techniques, from the simplest approximations to the most sophisticated methods. It starts with a detailed description of the various theoretical approaches to calculating the electronic structure of solids and molecules, including density-functional theory and chemical methods based on Hartree-Fock theory. The basic approximations are thoroughly discussed, and an in-depth overview of recent advances and alternative approaches in DFT is given. The second part discusses the different practical methods used to solve the electronic structure problem computationally, for both DFT and Hartree-Fock approaches. Adopting a unique and open approach, this textbook is aimed at graduate students in physics and chemistry, and is intended to improve communication between these communities. It also serves as a reference for researchers entering the field.
電子資源:	http://dx.doi.org/10.1017/CBO9780511755613

Electronic structure calculations for solids and molecules :theory and computational methods /
Kohanoff, Jorge,

Electronic structure calculations for solids and molecules :theory and computational methods /Electronic Structure Calculations for Solids & MoleculesJorge Kohanoff. - 1 online resource (xxii, 348 pages) :digital, PDF file(s).

Title from publisher's bibliographic system (viewed on 05 Oct 2015).

Electronic structure problems are studied in condensed matter physics and theoretical chemistry to provide important insights into the properties of matter. This 2006 graduate textbook describes the main theoretical approaches and computational techniques, from the simplest approximations to the most sophisticated methods. It starts with a detailed description of the various theoretical approaches to calculating the electronic structure of solids and molecules, including density-functional theory and chemical methods based on Hartree-Fock theory. The basic approximations are thoroughly discussed, and an in-depth overview of recent advances and alternative approaches in DFT is given. The second part discusses the different practical methods used to solve the electronic structure problem computationally, for both DFT and Hartree-Fock approaches. Adopting a unique and open approach, this textbook is aimed at graduate students in physics and chemistry, and is intended to improve communication between these communities. It also serves as a reference for researchers entering the field.

ISBN: 9780511755613 (ebook)Subjects--Topical Terms:

567481
Hartree-Fock approximation.

LC Class. No.: QD462.6.D45 / K64 2006

Dewey Class. No.: 541.22

Electronic structure calculations for solids and molecules :theory and computational methods /
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