메뉴 건너뛰기
Physical Review Letters
Volumn 71, Issue 12, 1993, Pages 1808-1811
Wavelets in electronic structure calculations
Author keywords

[No Author keywords available]
Indexed keywords

EID: 12044256405     PISSN: 00319007     EISSN: None     Source Type: Journal    
DOI: 10.1103/PhysRevLett.71.1808     Document Type: Article
Times cited : (119)
References (13)
  • 1
    • 84927817446 scopus 로고    scopus 로고
    • See, e.g., Ingrid Daubechies, Ten Lectures on Wavelets (SIAM, Philadelphia, 1992), and references therein.
  • 2
    • 84927817445 scopus 로고    scopus 로고
    • Charles K. Chui, An Introduction to Wavelets (Academic, Boston, 1992).
  • 6
    • 84927817444 scopus 로고    scopus 로고
    • Improvement of LCAO-type basis sets is an art requiring experience and knowledge of the system under study. In contrast PW basis sets offer guaranteed systematic convergence merely by increasing the kinetic energy of the basis set.
  • 7
    • 84931507903 scopus 로고
    • Ab initiocalculation of force constants and equilibrium geometries in polyatomic molecules
    • (1969) Molecular Physics , vol.17 , pp. 197
    • Pulay, P.1
  • 8
    • 84927817443 scopus 로고    scopus 로고
    • We have also tested fcc and bcc lattices and obtain similar results to the sc lattice.
  • 9
    • 84927817442 scopus 로고    scopus 로고
    • For the examples treated in this work d0 is chosen to be 1 a.u., and the Gaussian width is 1.35 a.u.
  • 10
    • 84927817441 scopus 로고    scopus 로고
    • Note that this procedure leads naturally to a linear scaling of the basis set size with the number of atoms in the calculations.
  • 13
    • 84927817440 scopus 로고    scopus 로고
    • The theory of periodized wavelets is discussed in Ref. [3].

* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.