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The Quantum Mechanics of Many-Body Systems
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The article was published on 1972-06-01 and is currently open access. It has received 598 citations till now. The article focuses on the topics: Open quantum system & Quantum dynamics.read more
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Journal ArticleDOI
A second order multiconfiguration SCF procedure with optimum convergence
TL;DR: In this article, an MCSCF procedure is described which is based on the direct minimization of an approximate energy expression which is periodic and correct to second order in the changes in the orthonormal orbitals.
Journal ArticleDOI
Single-reference ab initio methods for the calculation of excited states of large molecules.
Andreas Dreuw,Martin Head-Gordon +1 more
Journal ArticleDOI
The equation of motion coupled‐cluster method. A systematic biorthogonal approach to molecular excitation energies, transition probabilities, and excited state properties
TL;DR: In this paper, a comprehensive overview of the equation of motion coupled-cluster (EOM•CC) method and its application to molecular systems is presented by exploiting the biorthogonal nature of the theory, it is shown that excited state properties and transition strengths can be evaluated via a generalized expectation value approach that incorporates both the bra and ket state wave functions.
Journal ArticleDOI
Property-optimized gaussian basis sets for molecular response calculations.
Dmitrij Rappoport,Filipp Furche +1 more
TL;DR: The first comprehensive set of property-optimized augmented basis sets for elements H-Rn except lanthanides is constructed and the efficiency of the basis sets is demonstrated by computing static polarizabilities of icosahedral fullerenes up to C(720) using hybrid density functional theory.
Book ChapterDOI
Effects of Electron-Electron and Electron-Phonon Interactions on the One-Electron States of Solids
Lars Hedin,Stig Lundqvist +1 more
TL;DR: In this article, the crystal potential of the Fermi liquid is discussed and the potential from the ion cores as well as from the valence electrons, and schemes that incorporate essential exchange and correlation effects for the electrons are discussed.