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Volumn 64, Issue 2, 2001, Pages

Generalized Lanczos algorithm for variational quantum Monte Carlo

(1)  Sorella, Sandro a  

a INFM   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

ALGORITHM; ARTICLE; CALCULATION; MATHEMATICAL COMPUTING; QUANTUM THEORY; SYSTEM ANALYSIS; WAVEFORM;

EID: 4243962253     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.64.024512     Document Type: Article
Times cited : (383)

References (38)
  • 16
    • 85038297414 scopus 로고    scopus 로고
    • See, e.g., J. K. Cullum and R. A. Willoughby, Lanczos Algorithm for Large Symmetric Eigenvalue Computations (Birkhauser, 1985)
    • See, e.g., J. K. Cullum and R. A. Willoughby, Lanczos Algorithm for Large Symmetric Eigenvalue Computations (Birkhauser, 1985).
  • 18
    • 85038276716 scopus 로고    scopus 로고
    • If there exist configurations x such that (Formula presented) and (Formula presented), it is computationally convenient to regularize the given guiding function by adding to it a random noise which may be arbitrarily small within computer accuracy, thus preventing the above pathology with probability 1. By reducing this noise to zero the “clean” limit can be easily achieved without too much effort or complicated changes in the algorithm (Ref. 15
    • If there exist configurations x such that (Formula presented) and (Formula presented), it is computationally convenient to regularize the given guiding function by adding to it a random noise which may be arbitrarily small within computer accuracy, thus preventing the above pathology with probability 1. By reducing this noise to zero the “clean” limit can be easily achieved without too much effort or complicated changes in the algorithm (Ref. 15).
  • 20
    • 85038340729 scopus 로고    scopus 로고
    • In this paper we adopt a more general definition for a Slater determinant, as any state which is an eigenstate of a one-body Hamiltonian, not necessarily commuting with the particle number
    • In this paper we adopt a more general definition for a Slater determinant, as any state which is an eigenstate of a one-body Hamiltonian, not necessarily commuting with the particle number.
  • 23
    • 85038337532 scopus 로고    scopus 로고
    • This is strictly valid provided G is a positive-definite operator, which generally holds for large enough (Formula presented). In fact, by the Schwartz inequality, it is simple to show that the expectation value of the energy on (Formula presented) is lower than or at most equal to the one over (Formula presented)
    • This is strictly valid provided G is a positive-definite operator, which generally holds for large enough (Formula presented). In fact, by the Schwartz inequality, it is simple to show that the expectation value of the energy on (Formula presented) is lower than or at most equal to the one over (Formula presented)
  • 31
    • 85038326331 scopus 로고    scopus 로고
    • See e.g., C.J. Umrigar, K. G. Wilson, and J. M. Wilkins, in Computer Simulations Studies in Condensed Matter Systems: Recent Developments, edited by D. P. Lanadau, K. K. Mon, and H. B. Schuttler (Springer, Berlin, 1988)
    • See e.g., C.J. Umrigar, K. G. Wilson, and J. M. Wilkins, in Computer Simulations Studies in Condensed Matter Systems: Recent Developments, edited by D. P. Lanadau, K. K. Mon, and H. B. Schuttler (Springer, Berlin, 1988).


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.