1.

Record Nr.

UNINA9910710220203321

Autore

Van Brunt R. J

Titolo

1980 annual report : technical assistance for future insulation systems research / / R. J. Van Brunt; M. Misakian; D. A. Leep; K. J. Moy; E. C. Beaty

Pubbl/distr/stampa

Gaithersburg, MD : , : U.S. Dept. of Commerce, National Institute of Standards and Technology, , 1981

Descrizione fisica

1 online resource

Collana

NBSIR ; ; 81-2242

Altri autori (Persone)

BeatyE. C

LeepD. A

MisakianM

MoyK. J

Van BruntR. J

Lingua di pubblicazione

Inglese

Formato

Materiale a stampa

Livello bibliografico

Monografia

Note generali

1981.

Contributed record: Metadata reviewed, not verified. Some fields updated by batch processes.

Title from PDF title page.

Nota di bibliografia

Includes bibliographical references.



2.

Record Nr.

UNINA9910484111403321

Autore

Yserentant Harry

Titolo

Regularity and approximability of electronic wave functions / / Harry Yserentant

Pubbl/distr/stampa

New York, : Springer, 2010

ISBN

9786613569646

9781280391729

1280391723

9783642122484

3642122485

Edizione

[1st ed. 2010.]

Descrizione fisica

1 online resource (VIII, 188 p. 6 illus.)

Collana

Lecture notes in mathematics, , 0075-8434 ; ; 2000

Disciplina

515.353

Soggetti

Electron configuration

Wave functions

Lingua di pubblicazione

Inglese

Formato

Materiale a stampa

Livello bibliografico

Monografia

Note generali

Bibliographic Level Mode of Issuance: Monograph

Nota di bibliografia

Includes bibliographical references (177-180) and index.

Nota di contenuto

and Outline -- Fourier Analysis -- The Basics of Quantum Mechanics -- The Electronic Schrödinger Equation -- Spectrum and Exponential Decay -- Existence and Decay of Mixed Derivatives -- Eigenfunction Expansions -- Convergence Rates and Complexity Bounds -- The Radial-Angular Decomposition.

Sommario/riassunto

The electronic Schrödinger equation describes the motion of N-electrons under Coulomb interaction forces in a field of clamped nuclei. The solutions of this equation, the electronic wave functions, depend on 3N variables, with three spatial dimensions for each electron. Approximating these solutions is thus inordinately challenging, and it is generally believed that a reduction to simplified models, such as those of the Hartree-Fock method or density functional theory, is the only tenable approach. This book seeks to show readers that this conventional wisdom need not be ironclad: the regularity of the solutions, which increases with the number of electrons, the decay behavior of their mixed derivatives, and the antisymmetry enforced by the Pauli principle contribute properties that allow these functions to be approximated with an order of complexity which comes arbitrarily close



to that for a system of one or two electrons. The text is accessible to a mathematical audience at the beginning graduate level as well as to physicists and theoretical chemists with a comparable mathematical background and requires no deeper knowledge of the theory of partial differential equations, functional analysis, or quantum theory.