Keyword

ionization potential

Description: Ionization potential is the energy required to remove an electron from an atom or molecule, commonly discussed in chemistry and physics.

Primary topic: Advanced Chemical Physics Studies (23%)

Wikidata ID: wiki/Q483769

OpenAlex ID: keywords/ionization-potential

Density-functional thermochemistry. III. The role of exact exchange

1993 · Axel D. Becke · The Journal of Chemical Physics · 103,582

Atoms, molecules, solids, and surfaces: Applications of the generalized gradient approximation for exchange and correlation

1992 · John P. Perdew, J. A. Chevary, et al. · Physical review. B, Condensed matter · 22,273

A new mixing of Hartree–Fock and local density-functional theories

1993 · Axel D. Becke · The Journal of Chemical Physics · 16,498

Energy-adjustedab initio pseudopotentials for the second and third row transition elements

1990 · D. Andrae, U. Häußermann, et al. · Theoretica Chimica Acta · 8,551

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

1934 · T Koopmans · Physica · 7,769

Results obtained with the correlation energy density functionals of becke and Lee, Yang and Parr

1989 · Burkhard Miehlich, Andreas Savin, et al. · Chemical Physics Letters · 7,295

Assessment of the Perdew–Burke–Ernzerhof exchange-correlation functional

1999 · Matthias Ernzerhof, Gustavo E. Scuseria · The Journal of Chemical Physics · 5,504

Theory of high-harmonic generation by low-frequency laser fields

1994 · M. Lewenstein, Ph. Balcou, et al. · Physical Review A · 4,152

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Optimization of parameters for semiempirical methods II. Applications

1989 · James J. P. Stewart · Journal of Computational Chemistry · 3,749

Design of Density Functionals by Combining the Method of Constraint Satisfaction with Parametrization for Thermochemistry, Thermochemical Kinetics, and Noncovalent Interactions

2006 · Yan Zhao, Nathan E. Schultz, et al. · Journal of Chemical Theory and Computation · 3,746

Exchange and correlation in atoms, molecules, and solids by the spin-density-functional formalism

1976 · O. Gunnarsson, B. I. Lundqvist · Physical review. B, Solid state · 3,666

Energy-adjusted a b i n i t i o pseudopotentials for the first row transition elements

1987 · M. Dolg, U. Wedig, et al. · The Journal of Chemical Physics · 3,545

Gaussian-2 theory for molecular energies of first- and second-row compounds

1991 · Larry A. Curtiss, Krishnan Raghavachari, et al. · The Journal of Chemical Physics · 3,440

The physics of simple metal clusters: experimental aspects and simple models

1993 · Walt A. de Heer · Reviews of Modern Physics · 2,926

Gaussian basis sets for use in correlated molecular calculations. V. Core-valence basis sets for boron through neon

1995 · David E. Woon, Thom H. Dunning · The Journal of Chemical Physics · 2,904

Gaussian-3 (G3) theory for molecules containing first and second-row atoms

1998 · Larry A. Curtiss, Krishnan Raghavachari, et al. · The Journal of Chemical Physics · 2,868

Comparative assessment of a new nonempirical density functional: Molecules and hydrogen-bonded complexes

2003 · Viktor N. Staroverov, Gustavo E. Scuseria, et al. · The Journal of Chemical Physics · 2,828

Relativistic electronic-structure calculations employing a two-component no-pair formalism with external-field projection operators

1986 · Bernd A. Hess · Physical Review A · 2,521

The Structure of Electronic Excitation Levels in Insulating Crystals

1937 · Gregory H. Wannier · Physical Review · 2,168

Relativistic compact effective potentials and efficient, shared-exponent basis sets for the third-, fourth-, and fifth-row atoms

1992 · Walter J. Stevens, Morris Krauss, et al. · Canadian Journal of Chemistry · 2,162

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Handbook of photochemistry

2007 · Choice Reviews Online · 2,078

Reevaluation of X-Ray Atomic Energy Levels

1967 · J. A. BEARDEN, A. F. BURR · Reviews of Modern Physics · 2,042

Simplified CCSD(T)-F12 methods: Theory and benchmarks

2009 · Gerald Knizia, Thomas B. Adler, et al. · The Journal of Chemical Physics · 2,000

A Semi-Empirical Theory of the Electronic Spectra and Electronic Structure of Complex Unsaturated Molecules. I.

1953 · Rudolph Pariser, Robert G. Parr · The Journal of Chemical Physics · 1,983

Density matrix averaged atomic natural orbital (ANO) basis sets for correlated molecular wave functions

1990 · Per-Olof Widmark, Per-�ke Malmqvist, et al. · Theoretical Chemistry Accounts · 1,973

Works count: 27,460

Citation count: 948,000