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Pseudopotential
Known as:
Fermi pseudopotential
, ECP
, Effective Core Potential
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In physics, a pseudopotential or effective potential is used as an approximation for the simplified description of complex systems. Applications…
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Related topics
Related topics
20 relations
ABINIT
Basis set (chemistry)
BigDFT
Car–Parrinello molecular dynamics
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Broader (1)
Computational physics
Papers overview
Semantic Scholar uses AI to extract papers important to this topic.
Highly Cited
2015
Highly Cited
2015
A three-dimensional pseudo-potential-based lattice Boltzmann model for multiphase flows with large density ratio and variable surface tension
Ao Xu
,
T. Zhao
,
L. An
,
Le Shi
2015
Corpus ID: 118951888
Highly Cited
2008
Highly Cited
2008
LDA+DMFT implemented with the pseudopotential plane-wave approach
G. Trimarchi
,
G. Trimarchi
,
+5 authors
V. Anisimov
2008
Corpus ID: 15147795
We present a joint implementation of dynamical-mean-field theory (DMFT) with the pseudopotential plane-wave approach, via Wannier…
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Highly Cited
2008
Highly Cited
2008
Real-space pseudopotential method for first principles calculations of general periodic and partially periodic systems
A. Natan
,
Ayelet Benjamini
,
+4 authors
J. Chelikowsky
2008
Corpus ID: 123147721
We present a real-space method for electronic-structure calculations of systems with general full or partial periodicity. The…
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Highly Cited
2007
Highly Cited
2007
The Excitonic Exchange Splitting and Radiative Lifetime in PbSe Quantum Dots
J. An
,
A. Franceschetti
,
A. Zunger
2007
Corpus ID: 98281660
An exciton evolving from an m-fold degenerate hole level and an n-fold degenerate electron level has a nominal m × n degeneracy…
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Highly Cited
2003
Highly Cited
2003
Six low-strain zinc-blende half metals: An ab initio investigation
J. Pask
,
Lin H. Yang
,
C. Y. Fong
,
W. Pickett
,
S. Dag
2003
Corpus ID: 20002161
these findings, we further propose substrates on which the growth may be accomplished with minimum strain. Our findings are…
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Highly Cited
1999
Highly Cited
1999
Image potential states on metal surfaces: binding energies and wave functions
E. Chulkov
,
V. M. Silkin
,
P. Echenique
1999
Corpus ID: 55782258
Highly Cited
1999
Highly Cited
1999
A Full-Potential LMTO Method Based on Smooth Hankel Functions
M. Methfessel
,
M. Schilfgaarde
,
R. Casali
1999
Corpus ID: 15843291
The paper presents a recently developed full-potential linear muffin-tin orbital (FP-LMTO) method which does not require empty…
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Highly Cited
1995
Highly Cited
1995
Main Group Effective Nuclear Charges for Spin-Orbit Calculations
S. Koseki
,
M. Gordon
,
Michael W. Schmidt
,
N. Matsunaga
1995
Corpus ID: 91176184
The effective nuclear charges (Z.,ff), which are empirical parameters in an approximate spin-orbit Hamiltonian, are determined…
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Highly Cited
1991
Highly Cited
1991
Nonlocal pseudopotentials and diffusion Monte Carlo
L. Mitas
,
L. Mitas
,
E. L. Shirley
,
D. Ceperley
1991
Corpus ID: 7860009
We have applied the technique of evaluating a nonlocal pseudopotential with a trial function to give an approximate, local many…
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Highly Cited
1979
Highly Cited
1979
CORRIGENDUM: Momentum-space formalism for the total energy of solids
J. Ihm
,
A. Zunger
,
M. Cohen
1979
Corpus ID: 118606084
A momentum-space formalism for calculating the total energy of solids is derived. This formalism is designed particularly for…
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