Journal ArticleDOI
Über die Zuordnung von Wellenfunktionen und Eigenwerten zu den Einzelnen Elektronen Eines Atoms
TLDR
In this paper, Fock's Naherungsmethode zur Behandung des quantenmechanischen Mehrelektronenproblems aufgestellten Gleichungen werden auf etwas allgemeinerer Grundlage diskutiert.About:
This article is published in Physica D: Nonlinear Phenomena.The article was published on 1934-01-01. It has received 5844 citations till now.read more
Citations
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Journal ArticleDOI
Conceptual density functional theory.
TL;DR: This chapter discusses the development of DFT as a tool for Calculating Atomic andMolecular Properties and its applications, as well as some of the fundamental and Computational aspects.
Journal ArticleDOI
Charge transport in organic semiconductors.
Veaceslav Coropceanu,Jérôme Cornil,Demetrio A. da Silva Filho,Yoann Olivier,Robert J. Silbey,Jean-Luc Brédas +5 more
TL;DR: Electronic Coupling in Oligoacene Derivatives: Factors Influencing Charge Mobility, and the Energy-Splitting-in-Dimer Method 3.1.
Book
A Chemist's Guide to Density Functional Theory
Wolfram Koch,Max C. Holthausen +1 more
TL;DR: A Chemist's Guide to Density Functional Theory should be an invaluable source of insight and knowledge for many chemists using DFT approaches to solve chemical problems.
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Quantum Theory of Many-Particle Systems. I. Physical Interpretations by Means of Density Matrices, Natural Spin-Orbitals, and Convergence Problems in the Method of Configurational Interaction
TL;DR: In this article, the authors define a set of generalized density matrices for the Hermitean density matrix of order $k, which is further antisymmetric in each set of these indices.
Book
Electronic Structure: Basic Theory and Practical Methods
TL;DR: In this paper, the Kohn-Sham ansatz is used to solve the problem of determining the electronic structure of atoms, and the three basic methods for determining electronic structure are presented.
References
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Journal ArticleDOI
Näherungsmethode zur Lösung des quantenmechanischen Mehrkörperproblems
TL;DR: The Gleichungen, die sich fur ψi(χ) ergeben, enthalten „Austauschglieder“ and konnen als Eulersche GleICHungen eines dreidimensionalen Variationsproblems with der Energie als Wirkungsintegral [Formel (93] aufgefast werden as discussed by the authors.
Journal ArticleDOI
The Theory of Complex Spectra
TL;DR: In this article, the authors derived Hund's scheme for multiplet classification directly from theory and compared it with the results obtained experimentally in some typical examples, and found that the present theory leads to the same results as the rule when it is obeyed experimentally, but many cases which were exceptions to that rule are in agreement with the theory.
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The Effect of Retardation on the Interaction of two Electrons
TL;DR: In this paper, an approximate wave-equation (6) is set up which takes into account terms of the order of the Coulomb interaction in the interaction of two electrons, and it is shown that the retarded equation (48) differs from the non-retarded (36) by terms which affect the fine structur of orthohelium and which have not been known so far.
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Dirac's Equation and the Spin-Spin Interactions of Two Electrons
TL;DR: In this article, an improvement is made on a previous attempt to treat two particles by means of Dirac's equation, and the approximate equation (1) below is considered in successive steps.
Journal ArticleDOI
Über die Spektra von Atomsystemen mit zwei Elektronen
TL;DR: In this article, a befriedigende Darstellung der wesentlichsten Eigenschaften dieser Spektrails is introduced, which ergibt sich eine befriedige Darstellingung.