Keyword

electron correlation

Description: The mutual interactions among electrons in atoms, molecules, or materials, which influence their electronic structure and physical properties.

Primary topic: Advanced Chemical Physics Studies (30%)

Wikidata ID: wiki/Q2733663

OpenAlex ID: keywords/electron-correlation

Effect of the damping function in dispersion corrected density functional theory

2011 · Stefan Grimme, Stephan Ehrlich, et al. · Journal of Computational Chemistry · 27,960

Accurate and simple analytic representation of the electron-gas correlation energy

1992 · John P. Perdew, Yue Wang · Physical review. B, Condensed matter · 25,088

Electron-energy-loss spectra and the structural stability of nickel oxide: An LSDA+U study

1998 · S. L. Dudarev, G. A. Botton, et al. · Physical review. B, Condensed matter · 15,188

Atoms in Molecules

1990 · Richard F W Bader · 12,671

Fully optimized contracted Gaussian basis sets of triple zeta valence quality for atoms Li to Kr

1994 · Ansgar Schäfer, Christian Huber, et al. · The Journal of Chemical Physics · 9,174

A fifth-order perturbation comparison of electron correlation theories

1989 · Krishnan Raghavachari, Gary W. Trucks, et al. · Chemical Physics Letters · 8,509

Über die Zuordnung von Wellenfunktionen und Eigenwerten zu den Einzelnen Elektronen Eines Atoms

1934 · T Koopmans · Physica · 7,769

Metal-insulator transitions

1998 · Masatoshi Imada, Atsushi Fujimori, et al. · Reviews of Modern Physics · 7,609

A quantum theory of molecular structure and its applications

1991 · Richard F. W. Bader · Chemical Reviews · 7,245

Electron correlations in narrow energy bands

1963 · J. Hubbard · Proceedings of the Royal Society of London A Mathematical and Physical Sciences · 6,712

Natural hybrid orbitals

1980 · J. P. Foster, F. Weinhold · Journal of the American Chemical Society · 4,980

Topological semimetal and Fermi-arc surface states in the electronic structure of pyrochlore iridates

2011 · Xiangang Wan, Ari M. Turner, et al. · Physical Review B · 4,705

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Electron correlation in semiconductors and insulators: Band gaps and quasiparticle energies

1986 · Mark S. Hybertsen, Steven G. Louie · Physical review. B, Condensed matter · 3,955

Self-consistent molecular orbital methods. 21. Small split-valence basis sets for first-row elements

1980 · J. Stephen Binkley, John A. Pople, et al. · Journal of the American Chemical Society · 3,879

Second-order perturbation theory with a CASSCF reference function

1990 · Kerstin. Andersson, Per Aake. Malmqvist, et al. · The Journal of Physical Chemistry · 3,332

Relativistic effects in structural chemistry

1988 · Pekka Pyykko · Chemical Reviews · 3,046

Absence of Mott Transition in an Exact Solution of the Short-Range, One-Band Model in One Dimension

1968 · Elliott H. Lieb, F. Y. Wu · Physical Review Letters · 2,946

Configuration interaction calculations on the nitrogen molecule

1974 · Stephen R. Langhoff, Ernest R. Davidson · International Journal of Quantum Chemistry · 2,919

Erratum: Density-functional approximation for the correlation energy of the inhomogeneous electron gas

1986 · John P. Perdew · Physical review. B, Condensed matter · 2,785

Basis-set convergence of correlated calculations on water

1997 · Trygve Helgaker, Wim Klopper, et al. · The Journal of Chemical Physics · 2,552

Orbital Physics in Transition-Metal Oxides

2000 · Y. Tokura, N. Nagaosa · Science · 2,524

Atomic Screening Constants from SCF Functions

1963 · E. Clementi, D. L. Raimondi · The Journal of Chemical Physics · 2,444

Strong Closed-Shell Interactions in Inorganic Chemistry

1997 · Pekka Pyykkö · Chemical Reviews · 2,406

Essentials of Computational Chemistry: Theories and Models

2002 · Christopher J. Cramer · 2,403

A comparison of models for calculating nuclear magnetic resonance shielding tensors

1996 · James R. Cheeseman, Gary W. Trucks, et al. · The Journal of Chemical Physics · 2,348

Works count: 37,880

Citation count: 997,400