Publikationen in Zusammenarbeit mit Forschern von Duke University (6)

2000

  1. Nonorthogonal localized molecular orbitals in electronic structure theory

    Journal of Chemical Physics, Vol. 112, Núm. 4, pp. 1634-1644

1998

  1. On the scaling of multipole methods for particle-particle interactions

    Chemical Physics Letters, Vol. 282, Núm. 1, pp. 71-78

1997

  1. Fast evaluation of the Coulomb energy for electron densities

    Journal of Chemical Physics, Vol. 107, Núm. 4, pp. 1218-1226

1996

  1. A concise redefinition of the solid spherical harmonics and its use in fast multipole methods

    Journal of Chemical Physics, Vol. 104, Núm. 20, pp. 8003-8006

1995

  1. A simple O(N log N) algorithm for the rapid evaluation of particle-particle interactions

    Chemical Physics Letters, Vol. 247, Núm. 4-6, pp. 484-490

  2. An algorithm for 3D numerical integration that scales linearly with the size of the molecule

    Chemical Physics Letters, Vol. 241, Núm. 4, pp. 469-476