Linear-scaling density matrix perturbation treatment of electric fields in solids

scientific article published on 27 December 2006

Linear-scaling density matrix perturbation treatment of electric fields in solids is …
instance of (P31):
scholarly articleQ13442814

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P356DOI10.1103/PHYSREVLETT.97.266402
P698PubMed publication ID17280437
P5875ResearchGate publication ID6525221

P50authorHongjun XiangQ50636970
P2093author name stringJinlong Yang
Qingshi Zhu
J G Hou
P2860cites workMacroscopic polarization in crystalline dielectrics: the geometric phase approachQ21698172
Ground State of the Electron Gas by a Stochastic MethodQ21706258
Iterative minimization techniques for ab initio total-energy calculations: molecular dynamics and conjugate gradientsQ27347244
Self-interaction correction to density-functional approximations for many-electron systemsQ27439250
Density matrix perturbation theoryQ49257958
Ab initio linear scaling response theory: electric polarizability by perturbed projectionQ49258001
Higher-order response in O(N) by perturbed projectionQ51632958
Linear scaling calculation of maximally localized Wannier functions with atomic basis set.Q51938394
Spin-unrestricted linear-scaling electronic structure theory and its application to magnetic carbon-doped boron nitride nanotubesQ51956581
The SIESTA method for ab initio order-N materials simulationQ56866700
P433issue26
P407language of work or nameEnglishQ1860
P304page(s)266402
P577publication date2006-12-27
P1433published inPhysical Review LettersQ2018386
P1476titleLinear-scaling density matrix perturbation treatment of electric fields in solids
P478volume97

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cites work (P2860)
Q50735154Canonical density matrix perturbation theory.
Q58099736HONPAS: A linear scaling open-source solution for large system simulations
Q51911032Linear scaling calculation of band edge states and doped semiconductors
Q58100286Linear scaling electronic structure calculations with numerical atomic basis set
Q37993780Linear-scaling quantum mechanical methods for excited states
Q33361733Molecular-orbital-free algorithm for excited states in time-dependent perturbation theory
Q51608259Molecular-orbital-free algorithm for the excited-state force in time-dependent density functional theory
Q33407610Representation independent algorithms for molecular response calculations in time-dependent self-consistent field theories
Q51914362Time-dependent density functional theory scheme for efficient calculations of dynamic (hyper)polarizabilities
Q50947259\mathcal{O}(N) methods in electronic structure calculations

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