Multiresolution computational chemistry

Journal of Physics: Conference Series

Volumn 16, Issue 1, 2005, Pages 243-246

  Harrison, Robert J ^a   Fann, George I ^a   Gan, Zhengting ^a   Yanai, Takeshi ^a   Sugiki, Shinichiro ^a   Beste, Ariana ^a   Beylkin, Gregory ^a  

^a OAK RIDGE NATIONAL LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 24344473361     PISSN: 17426588     EISSN: 17426596     Source Type: Conference Proceeding    
DOI: 10.1088/1742-6596/16/1/032     Document Type: Conference Paper

References (11)

1. Harrison R J, G I Fann, T Yanai, Z Gan and G Beylkin 2004 Multiresolution quantum chemistry: basic theory and initial applications J. Chem. Phys. 121 11587
2. Harrison R J, G I Fann, T Yanai and G Beylkin 2003 Multiresolution quantum chemistry in multiwavelet bases Lecture Notes Comput. Sci. 2660 103
3. Yanai T, G I Fann, Z Gan, R J Harrison, G Beylkin 2004 Multiresolution quantum chemistry in multiwavelet bases: Analytic derivatives for Hartree-Fock and density functional theory J. Chem. Phys. 121 2866
4. Fann G I, G Beylkin, R J Harrison and K E Jordan 2004 Singular operators in multiwavelet bases IBM J. Res. Dev. 48 161
5. Yanai T, RJ Harrison and NC Handy 2004 Multiresolution quantum chemistry in multiwavelet bases: time-dependent density functional theory with asymptotically corrected potentials in local density and generalized gradient approximations Mol. Phys. accepted for publication
6. Yanai T, R J Harrison, G I Fann and G Beylkin 2005 Multi-resolution quantum chemistry: linear response for excited states Int. J. Quant. Chem. submitted for publication
7. Beylkin G and M J Mohlenkamp 2002 Numerical operator calculus in higher dimensions August 2001 Proc. Natl. Acad. Sci. 99 (16) 10246-51
8. Beylkin G and R Cramer 2002 A multiresolution approach to regularization of singular operators and fast summation SIAM J. Sci. Comput. 24 81-117
9. 12-Dependent terms in the wave function as closed sums of partial wave amplitudes for large l Theor. Chim. Acta 68 445
10. Werner Kutzelnigg and Wim Klopper 1991 Wave functions with terms linear in the interelectronic coordinates to take care of the correlation cusp. I. General theory J. Chem. Phys. 94 1985
11. Kutzelnigg W and J D Morgan 1992 Rates of convergence of the partial-wave expansions of atomic correlation energies J. Chem. Phys. 96 4484