Matches in SemOpenAlex for { <https://semopenalex.org/work/W2953197551> ?p ?o ?g. }
Showing items 1 to 67 of
67
with 100 items per page.
- W2953197551 abstract "The self-healing diffusion Monte Carlo algorithm (SHDMC) [Reboredo, Hood and Kent, Phys. Rev. B {bf 79}, 195117 (2009); Reboredo, {it ibid.} {bf 80}, 125110 (2009)] is extended to study the ground and excited states of magnetic and periodic systems. The method converges to exact eigenstates as the statistical data collected increases if the wave function is sufficiently flexible. It is shown that the wave functions of complex anti-symmetric eigen-states can be written as the product of an anti-symmetric real factor and a symmetric phase factor. The dimensionality of the nodal surface is dependent on whether phase is a scalar function or not. A recursive optimization algorithm is derived from the time evolution of the mixed probability density, which is given by an ensemble of electronic configurations (walkers) with complex weight. This complex weight allows the amplitude of the fixed-node wave function to move away from the trial wave function phase. This novel approach is both a generalization of SHDMC and the fixed-phase approximation [Ortiz, Ceperley and Martin, Phys Rev. Lett. {bf 71}, 2777 (1993)]. When used recursively it simultaneously improves the node and the phase. The algorithm is demonstrated to converge to nearly exact solutions of model systems with periodic boundary conditions or applied magnetic fields. The computational cost is proportional to the number of independent degrees of freedom of the phase. The method is applied to obtain low-energy excitations of Hamiltonians with magnetic field or periodic boundary conditions. The method is used to optimize wave functions with twisted boundary conditions, which are included in a many-body Bloch phase. The potential applications of this new method to study periodic, magnetic, and complex Hamiltonians are discussed." @default.
- W2953197551 created "2019-06-27" @default.
- W2953197551 creator A5043452744 @default.
- W2953197551 date "2010-07-19" @default.
- W2953197551 modified "2023-09-27" @default.
- W2953197551 title "Many-body calculations of low-energy eigenstates in magnetic and periodic systems with self-healing diffusion Monte Carlo: steps beyond the fixed-phase" @default.
- W2953197551 hasPublicationYear "2010" @default.
- W2953197551 type Work @default.
- W2953197551 sameAs 2953197551 @default.
- W2953197551 citedByCount "0" @default.
- W2953197551 crossrefType "posted-content" @default.
- W2953197551 hasAuthorship W2953197551A5043452744 @default.
- W2953197551 hasConcept C105795698 @default.
- W2953197551 hasConcept C111030470 @default.
- W2953197551 hasConcept C111350023 @default.
- W2953197551 hasConcept C112675119 @default.
- W2953197551 hasConcept C113603373 @default.
- W2953197551 hasConcept C121332964 @default.
- W2953197551 hasConcept C13153151 @default.
- W2953197551 hasConcept C134306372 @default.
- W2953197551 hasConcept C158693339 @default.
- W2953197551 hasConcept C182310444 @default.
- W2953197551 hasConcept C19499675 @default.
- W2953197551 hasConcept C33923547 @default.
- W2953197551 hasConcept C47833936 @default.
- W2953197551 hasConcept C62520636 @default.
- W2953197551 hasConceptScore W2953197551C105795698 @default.
- W2953197551 hasConceptScore W2953197551C111030470 @default.
- W2953197551 hasConceptScore W2953197551C111350023 @default.
- W2953197551 hasConceptScore W2953197551C112675119 @default.
- W2953197551 hasConceptScore W2953197551C113603373 @default.
- W2953197551 hasConceptScore W2953197551C121332964 @default.
- W2953197551 hasConceptScore W2953197551C13153151 @default.
- W2953197551 hasConceptScore W2953197551C134306372 @default.
- W2953197551 hasConceptScore W2953197551C158693339 @default.
- W2953197551 hasConceptScore W2953197551C182310444 @default.
- W2953197551 hasConceptScore W2953197551C19499675 @default.
- W2953197551 hasConceptScore W2953197551C33923547 @default.
- W2953197551 hasConceptScore W2953197551C47833936 @default.
- W2953197551 hasConceptScore W2953197551C62520636 @default.
- W2953197551 hasLocation W29531975511 @default.
- W2953197551 hasOpenAccess W2953197551 @default.
- W2953197551 hasPrimaryLocation W29531975511 @default.
- W2953197551 hasRelatedWork W127618517 @default.
- W2953197551 hasRelatedWork W1576177182 @default.
- W2953197551 hasRelatedWork W1965932181 @default.
- W2953197551 hasRelatedWork W1979981301 @default.
- W2953197551 hasRelatedWork W2005597429 @default.
- W2953197551 hasRelatedWork W2029724208 @default.
- W2953197551 hasRelatedWork W2052133616 @default.
- W2953197551 hasRelatedWork W2058120086 @default.
- W2953197551 hasRelatedWork W2064102248 @default.
- W2953197551 hasRelatedWork W2089757291 @default.
- W2953197551 hasRelatedWork W2095321763 @default.
- W2953197551 hasRelatedWork W2158118520 @default.
- W2953197551 hasRelatedWork W2175688226 @default.
- W2953197551 hasRelatedWork W2597485318 @default.
- W2953197551 hasRelatedWork W2767957662 @default.
- W2953197551 hasRelatedWork W2914146506 @default.
- W2953197551 hasRelatedWork W2949100341 @default.
- W2953197551 hasRelatedWork W3098916722 @default.
- W2953197551 hasRelatedWork W3177135051 @default.
- W2953197551 hasRelatedWork W2155065033 @default.
- W2953197551 isParatext "false" @default.
- W2953197551 isRetracted "false" @default.
- W2953197551 magId "2953197551" @default.
- W2953197551 workType "article" @default.