Achieving linear scaling for the electronic quantum coulomb problem

Science

Volumn 271, Issue 5245, 1996, Pages 51-53

  Strain, Matthew C ^a   Scuseria, Gustavo E ^a   Frisch, Michael J ^b  

^a RICE UNIVERSITY   (United States)

^b Lorentzian Incorporated   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0002934876     PISSN: 00368075     EISSN: None     Source Type: Journal    
DOI: 10.1126/science.271.5245.51     Document Type: Article

References (15)

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11. The technical details of our present implementa tion, and an extensive study of the method's accuracy and speed, will be reported elsewhere We prefer the name "Gaussian FMM" over "continuous FMM" [as in (4)] to underscore the fact that (I) the product of two Gaussian orbitals is a sum of well-localized Gaussian charge distributions amenable to efficient treatment by FMM, which is not true for other continuous charge distributions, and (II) the error bound discussed here derives from and applies exclusively to Gaussian distributions.
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15. This work was supported by the Air Force Office of Scientific Research (grant F49620-95-1-0203), the National Science Foundation (CHE-9321297), the Welch Foundation, and Gaussian, Inc. G E S is a Camille and Henry Dreyfus Teacher-Scholar.