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Peter R. Surjan[electronic resource] :a festschrift from theoretical chemistry accounts /

紀錄類型:	書目-語言資料,印刷品 : Monograph/item
杜威分類號:	541.2
書名/作者:	Peter R. Surjan : a festschrift from theoretical chemistry accounts // edited by Agnes Szabados, Mihaly Kallay, Peter G. Szalay.
其他作者:	Szabados, Agnes.
出版者:	Berlin, Heidelberg : : Springer Berlin Heidelberg :, 2016.
面頁冊數:	vi, 266 p. : : ill. (some col.), digital ;; 24 cm.
Contained By:	Springer eBooks
標題:	Chemistry, Physical and theoretical.
標題:	Chemistry.
標題:	Theoretical and Computational Chemistry.
標題:	Atomic/Molecular Structure and Spectra.
標題:	Physical Chemistry.
ISBN:	9783662498255
ISBN:	9783662498248
內容註:	From the content: Preface -- Local random phase approximation with projected oscillator orbitals -- Orthogonality-constrained Hartree-Fock and perturbation theory for high-spin open-shell excited states -- On the non-integer number of particles in molecular system domains: treatment and description -- Spin contamination and noncollinearity in general complex Hartree-Fock wave functions -- Partial-wave decomposition of the ground-state wavefunction of the two-electron harmonium atom -- Use of graphics processing units for efficient evaluation of derivatives of exchange integrals by means of Fourier transformation.
摘要、提要註:	In this Festschrift dedicated to the 60th birthday of Peter R. Surjan, selected researchers in theoretical chemistry present research highlights on major developments in the field. Originally published in the journal Theoretical Chemistry Accounts, these outstanding contributions are now available in a hardcover print format, as well as a special electronic edition. This volume provides valuable content for all researchers in theoretical chemistry and will especially benefit those research groups and libraries with limited access to the journal.
電子資源:	http://dx.doi.org/10.1007/978-3-662-49825-5

Peter R. Surjan[electronic resource] :a festschrift from theoretical chemistry accounts /
Peter R. Surjana festschrift from theoretical chemistry accounts /[electronic resource] :edited by Agnes Szabados, Mihaly Kallay, Peter G. Szalay. - Berlin, Heidelberg :Springer Berlin Heidelberg :2016. - vi, 266 p. :ill. (some col.), digital ;24 cm. - Highlights in theoretical chemistry,v.122194-8666 ;. - Highlights in theoretical chemistry ;v.4..

From the content: Preface -- Local random phase approximation with projected oscillator orbitals -- Orthogonality-constrained Hartree-Fock and perturbation theory for high-spin open-shell excited states -- On the non-integer number of particles in molecular system domains: treatment and description -- Spin contamination and noncollinearity in general complex Hartree-Fock wave functions -- Partial-wave decomposition of the ground-state wavefunction of the two-electron harmonium atom -- Use of graphics processing units for efficient evaluation of derivatives of exchange integrals by means of Fourier transformation.

In this Festschrift dedicated to the 60th birthday of Peter R. Surjan, selected researchers in theoretical chemistry present research highlights on major developments in the field. Originally published in the journal Theoretical Chemistry Accounts, these outstanding contributions are now available in a hardcover print format, as well as a special electronic edition. This volume provides valuable content for all researchers in theoretical chemistry and will especially benefit those research groups and libraries with limited access to the journal.

ISBN: 9783662498255

Standard No.: 10.1007/978-3-662-49825-5doiSubjects--Topical Terms:

404925
Chemistry, Physical and theoretical.

LC Class. No.: QA453.3

Dewey Class. No.: 541.2

Peter R. Surjan[electronic resource] :a festschrift from theoretical chemistry accounts /
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