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1,144 claims from 719 papers are on the record. 42 have been checked so far; the other 1,102 have no check with a result yet.

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Topic: Advanced Chemical Physics Studies ×Clear all

4 claims from 2 papers

1. Physics and Astronomy › Advanced Chemical Physics Studies

   Generalized Gradient Approximation Made Simple

   Perdew, Burke and Ernzerhof · Physical Review Letters · 1996

   The paper derives a simple generalized gradient approximation for the exchange-correlation energy, using only fundamental constants beyond those in LSD, and says it improves on PW91.

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   1. UncheckedThe authors say their simpler GGA improves on the earlier PW91 version in three ways: linear response, uniform scaling and a smoother potential.“Improvements over PW91 include an accurate description of the linear response of the uniform electron gas, correct behavior under uniform scaling, and a smoother potential.”

2. Physics and Astronomy › Advanced Chemical Physics Studies

   Self-Consistent Equations Including Exchange and Correlation Effects

   Kohn and Sham · Physical Review · 1965

   Building on Hohenberg and Kohn's theory, the paper derives approximate, self-consistent equations for interacting electrons in an uneven density, including exchange and correlation effects.

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   1. UncheckedThe approximation methods developed for interacting electrons are exact in the limits of slowly varying electron density or very high density.“These methods are exact for systems of slowly varying or high density.”
   2. UncheckedFor the ground state, the authors' approximation methods give self-consistent equations resembling the Hartree and Hartree-Fock equations, respectively.“For the ground state, they lead to self-consistent equations analogous to the Hartree and Hartree-Fock equations, respectively.”
   3. UncheckedIn the paper's self-consistent equations, a uniform electron gas's exchange and correlation chemical potential terms enter as extra effective potentials.“In these equations the exchange and correlation portions of the chemical potential of a uniform electron gas appear as additional effective potentials.”