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Péter R. Surján = A Festschrift from Theoretical Chemistry Accounts /

紀錄類型:	書目-語言資料,印刷品 : Monograph/item
正題名/作者:	Péter R. Surján/ edited by Ágnes Szabados, Mihály Kállay, Péter G. Szalay.
其他題名:	A Festschrift from Theoretical Chemistry Accounts /
其他作者:	Szabados, Ágnes.
面頁冊數:	VI, 266 p. 102 illus., 79 illus. in color.online resource. :
Contained By:	Springer Nature eBook
標題:	Chemistry, Physical and theoretical. -
電子資源:	https://doi.org/10.1007/978-3-662-49825-5
ISBN:	9783662498255

Péter R. Surján = A Festschrift from Theoretical Chemistry Accounts /
Péter R. SurjánA Festschrift from Theoretical Chemistry Accounts /[electronic resource] :edited by Ágnes Szabados, Mihály Kállay, Péter G. Szalay. - 1st ed. 2016. - VI, 266 p. 102 illus., 79 illus. in color.online resource. - Highlights in Theoretical Chemistry,122194-8666 ;. - Highlights in Theoretical Chemistry,8.

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 Péter R. Surján, 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:

557299
Chemistry, Physical and theoretical.

LC Class. No.: QD450-801

Dewey Class. No.: 541.2

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