Quick search Find article
Quick search
Find article

MADNESS applied to density functional theory in chemistry and nuclear physics

G I Fann1, R J Harrison2, G Beylkin3, J Jia1, R Hartman-Baker1, W A Shelton4 and S Sugiki4

Show affiliations


[1]
Alpert B 1993 A class of bases in L2 for the sparse representation of integral operators SIAM J. Math. Anal. 24 (1) 246-262
CrossRef 
[2]
Alpert B, Beylkin G, Gines D and Vozovoi L 2002 Adaptive solution of partial differential equations in multiwavelet bases J. Comput. Phys. 182 (1) 149-190
CrossRef 
[3]
Bennaceur K, Dobaczewski J and Ploszajczak M 1999 Continuum effects for the mean-field and pairing properties of weakly bound nuclei Phys. Rev. C 60 034308
CrossRef 
[4]
Beylkin G, Coifman R and Rokhlin V 1991 Fast wavelet transforms and numerical algorithms. I Comm. Pure Appl. Math. 44 (2) 141-183 Yale Univ. Technical Report YALEU/DCS/RR-696, August 1989
CrossRef 
[5]
Beylkin G, Coifman R and Rokhlin V 1992 Wavelets in numerical analysis Wavelets and their applications (Jones and Bartlett, Boston, MA) pp p 181-210

[6]
Beylkin G, Cramer R, Fann G I and Harrison R J 2004 Multiresolution separated representations of singular and weakly singular operators submitted

[7]
Beylkin G and Mohlenkamp M J 2002 Numerical operator calculus in higher dimensions Proc. Natl. Acad. Sci. USA 99 (16) 10246-10251 http://www.pnas.org/cgi/content/abstract/112329799v1
CrossRef  PubMed 
[8]
Beylkin G and Mohlenkamp M J 2004 Algorithms for numerical analysis in high dimensions APPM Preprint #519 Univ. of Colorado, http://amath.colorado.edu/pub/wavelets/papers/BEY-M0H2004P.pdf, accepted for publication in SIAM J. Sci. Comput.

[9]
Beylkin G and Monzón L 2005 On approximation of functions by exponential sums Appl. Comput. Harmon. Anal. 19 (1) 17-48
CrossRef 
[10]
Boys S F 1960 The integral formulae for the variational solution of the molecular many-electron wave equations in terms of gaussian functions with direct electronic correlation Proceedings of the R. Society London Ser. a-Math. Phys. Sci. 258 (1294) 402 Proc. R. Soc. London Sci. A-Math
CrossRef 
[11]
Braess D 1995 Asymptotics for the approximation of wave functions by exponential sums J. Approx. Theor. 83 (1) 93-103
CrossRef 
[12]
Cheng H, Greengard L and Rokhlin V 1999 A fast adaptive multipole algorithm in three dimensions J. Comput. Phys. 155 (2) 468-498
CrossRef 
[13]
Fann G I, Beylkin G, Harrison R J and Jordan K 2004 Singular operators in multiwavelet bases IBM J. Res. Development 48 (2) 161-171
CrossRef 
[14]
Harrison R J, Fann G I, Yanai T and Beylkin G 2003 Multiresolution quantum chemistry in multiwavelet bases Lecture Notes in Computer Science. Computational Science-ICCS 2003 vol 2660 ed P M A Sloot et al ed (Springer) pp p 103-110

[15]
Harrison R J, Fann G I, Yanai T, Gan Z and Beylkin G 2004 Multiresolution quantum chemistry:basic theory and initial applications J. Chem. Phys. 121 (23) 11587-11598 http://amath.Colorado.edu/pub/wavelets/papers/mrqc.pdf
CrossRef  PubMed 
[16]
Kutzelnigg W 1994 Theory of the expansion of wave functions in a Gaussian basis Internat. J. Quantum Chem. 51 447-463
CrossRef 
[17]
Longstaff J V L and Singer K 1960 The use of gaussian (exponential quadratic) wave functions in molecular problems, ii. wave functions for the ground state of the hydrogen atom and of hydrogen molecule Proceedings of the R. Society London Ser. a- Math. Phys. Sci. 258 (1294) 421 Proc. R. Soc. London Ser. A-Math
CrossRef 
[18]
Singer K 1960 The use of gaussian (exponential quadratic) wave functions in molecular problems, i. general formulae for the evaluation of integrals Proceedings of the R. Society London Ser. a- Math. Phys. Sci. 258 (1294) 412 Proc. R. Soc. London Ser. A-Math
CrossRef 
[19]
Yanai T, Fann G I, Gan Z, Harrison R J and Beylkin G 2004 Multiresolution quantum chemistry: Analytic derivatives for Hartree-Fock and density functional theory J. Chem. Phys. 121 (7) 2866-2876
CrossRef  PubMed 
[20]
Yanai T, Fann G I, Gan Z, Harrison R J and Beylkin G 2004 Multiresolution quantum chemistry: Hartree-Fock exchange J. Chem. Phys. 121 (14) 6680-6688
CrossRef  PubMed 
crossref member

  1. MADNESS applied to density functional theory in chemistry and nuclear physics

    G I Fann et al 2007 J. Phys.: Conf. Ser. 78 012018

  2. Matrix model and β-deformed Script N = 4 SYM

    G.C. Rossi et al JHEP12(2009)043

  3. Exploring the Variable Sky with the Sloan Digital Sky Survey

    Branimir Sesar et al. 2007 The Astronomical Journal 134 2236

  4. Renewable fluid dynamic energy derived from aquatic animal locomotion

    John O Dabiri 2007 Bioinspir. Biomim. 2 L1

  5. Multicolor Infrared Observations of SN 2006aj. I. The Supernova Associated with XRF 060218

    Daniel Kocevski et al. 2007 ApJ 663 1180

  6. Revealing anyonic features in a toric code quantum simulation

    J K Pachos et al 2009 New J. Phys. 11 083010

  7. Entanglement degree of a nonlinear multiphoton Jaynes-Cummings model

    Mahmoud Abdel-Aty et al 2002 J. Opt. B: Quantum Semiclass. Opt. 4 37

  8. Stochastic gravity: beyond semiclassical gravity

    E Verdaguer 2007 J. Phys.: Conf. Ser. 66 012006

  9. Is the number of photons conserved in an expanding universe?

    M Novello et al 1990 Class. Quantum Grav. 7 51

  10. Neuronal network structuring induces greater neuronal activity through enhanced astroglial development

    John C Chang et al 2006 J. Neural Eng. 3 217

Related review articles

What's this?
View review articles related to this research to gain an insight into the key trends in this subject area. Related review articles are selected based on PACS/MSC codes, and are no more than three years old.

  1. Forward flux sampling for rare event simulations

View by subject




Export








Please login to access our web services, or create an account if you don't yet have one.

You must have cookies enabled in your web browser to be able to login.

Username
Password

Forgotten your password? Get a new one here.