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Projector augmented wave method
Known as:
Paw (disambiguation)
The projector augmented wave method (PAW) is a technique used in ab initio electronic structure calculations. It is a generalization of the…
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Related topics
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12 relations
ABINIT
Ab initio quantum chemistry methods
CASTEP
Density functional theory
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Broader (1)
Computational science
Papers overview
Semantic Scholar uses AI to extract papers important to this topic.
2016
2016
First-principles calculations of second-order elastic constants and generalized-stacking-fault energy for GaAs
Yunchang Fu
,
Huili Zhang
,
Chun Zhang
,
C. Zeng
2016
Corpus ID: 67822641
The second-order elastic constants and generalized-stacking-fault energy surfaces for semiconductors GaAs have been predicted by…
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2013
2013
Thermodynamic analysis using first-principles calculations of phases and structures of LixNi0.5Mn1.5O4 (0 ≤ x ≤ 1)
I. Kishida
,
Kengo Orita
,
A. Nakamura
,
Y. Yokogawa
2013
Corpus ID: 98143927
2011
2011
Orbital dependent functionals: An atom projector augmented wave method implementation
Xiao Xu
2011
Corpus ID: 123815919
This thesis explores the formulation and numerical implementation of orbital dependent exchange-correlation functionals within…
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2011
2011
Ab initio study of ultra-incompressible ternary BeCN2 polymorph
Haiyan Yan
,
Q. Wei
,
Q. Wei
,
Shao-mei Chang
,
Ping Guo
2011
Corpus ID: 56244155
2010
2010
Backward linear control systems on time scales
E. Pawłuszewicz
,
Delfim F. M. Torres
International Journal of Control
2010
Corpus ID: 28568806
We show how a linear control systems theory for the backward nabla differential operator on an arbitrary time scale can be…
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2010
2010
Catalytic Action of a Cu(111) Surface on Tetraazaperopyrene Polymerization
S. Blankenburg
,
E. Rauls
,
W. Schmidt
2010
Corpus ID: 11690177
The polymerization of tetraazaperopyrene molecules on a Cu(111) substrate, as observed in recent scanning tunneling microscopy…
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2008
2008
Localized Atomic Orbital Basis Sets in the Projector Augmented Wave Method
M. Vanin
2008
Corpus ID: 51914615
This thesis concerns the application of localized atom-centered basis functions in the projector augmented wave method. Localized…
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2006
2006
A multiscale study of ferromagnetism in clustered (Ga,Mn)N
T. Hynninen
,
H. Raebiger
,
J. von Boehm
2006
Corpus ID: 13460669
Magnetic interactions in (Ga,Mn)N are studied on the microscopic inter-cluster and intra-cluster scales using first-principles…
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2006
2006
Development and application of Muffin-Tin Orbital based Green’s function techniques to systems with magnetic and chemical disorder
A. Kissavos
2006
Corpus ID: 98584528
Accurate electronic structure calculations are becoming more and more important because of the increasing need for information…
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Review
2002
Review
2002
The Projector Augmented Wave Method: ab-initio molecular dynamics with full wave functions
P. Blochl
,
C. Forst
,
Johannes Schimpl
2002
Corpus ID: 263786369
A brief introduction to the projector augmented wave method is given and recent developments are reviewed. The projector…
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