Resolutions of the Coulomb operator.
暂无分享,去创建一个
Peter M W Gill | Evelyne Deplazes | Andrew T B Gilbert | P. Gill | A. Gilbert | E. Deplazes | Sergey A Varganov | S. Varganov
[1] Stephen W. Taylor,et al. Modeling the potential of a charge distribution , 1992 .
[2] N. H. Beebe,et al. Simplifications in the generation and transformation of two‐electron integrals in molecular calculations , 1977 .
[3] Ronald H. Felton,et al. A new computational approach to Slater’s SCF–Xα equation , 1975 .
[4] L. Greengard. The Rapid Evaluation of Potential Fields in Particle Systems , 1988 .
[5] V. Rokhlin. Rapid solution of integral equations of classical potential theory , 1985 .
[6] K. Schmidt,et al. Implementing the fast multipole method in three dimensions , 1991 .
[7] Martin W. Feyereisen,et al. Use of approximate integrals in ab initio theory. An application in MP2 energy calculations , 1993 .
[8] Jack J. Dongarra,et al. A set of level 3 basic linear algebra subprograms , 1990, TOMS.
[9] P. Gill,et al. Coulomb energies via Stewart densities , 1998 .
[10] Charles L. Lawson,et al. Basic Linear Algebra Subprograms for Fortran Usage , 1979, TOMS.
[11] 宁北芳,et al. 疟原虫var基因转换速率变化导致抗原变异[英]/Paul H, Robert P, Christodoulou Z, et al//Proc Natl Acad Sci U S A , 2005 .
[12] Stephen W. Taylor,et al. KWIK: Coulomb Energies in O(N) Work , 1996 .
[13] J. Almlöf,et al. Integral approximations for LCAO-SCF calculations , 1993 .
[14] Andrew W. Appel,et al. An Efficient Program for Many-Body Simulation , 1983 .
[15] Martin Head-Gordon,et al. Auxiliary basis expansions for large-scale electronic structure calculations. , 2005, Proceedings of the National Academy of Sciences of the United States of America.
[16] William J. Thompson,et al. Atlas for Computing Mathematical Functions: An Illustrated Guide for Practitioners with Programs in Fortran 90 and Mathematica , 1997 .
[17] J. L. Whitten,et al. Coulombic potential energy integrals and approximations , 1973 .
[18] Irene A. Stegun,et al. Handbook of Mathematical Functions. , 1966 .
[19] Kenneth G. Libbrecht. Practical considerations for the generation of large-order spherical harmonics , 1985 .
[20] Marco Häser,et al. Auxiliary basis sets to approximate Coulomb potentials , 1995 .
[21] John R. Sabin,et al. On some approximations in applications of Xα theory , 1979 .
[22] G. Friesecke,et al. Decay behavior of least-squares coefficients in auxiliary basis expansions. , 2005, The Journal of chemical physics.
[23] Benny G. Johnson,et al. THE CONTINUOUS FAST MULTIPOLE METHOD , 1994 .
[24] O. D. Kellogg. Foundations of potential theory , 1934 .
[25] J. Mercer. Functions of Positive and Negative Type, and their Connection with the Theory of Integral Equations , 1909 .
[26] Peter Pulay,et al. The Fourier transform Coulomb method: Efficient and accurate calculation of the Coulomb operator in a Gaussian basis , 2002 .