A connection is made between a recently introduced Lagrange-distributed approximating-functional and the Paley-Wiener sampling theorem. The Lagrange-distributed approximating-functional sampling isâ€¦ (More)

An attempt has been made to measure the theoretically predicted manifestation of a geometric phase in the differential cross section for the H + HD â†’ HD(v' = 2, j' = 5) + H reaction at aâ€¦ (More)

A newly developed distributed approximating functional ~DAF!-wavelet, the Dirichletâ€“Gabor DAF-wavelet ~DGDW!, is applied in a calculation of the state-to-state reaction probabilities for theâ€¦ (More)

We investigate the calculation of approximate non-equilibrium quantum time correlation functions (TCFs) using two popular path-integral-based molecular dynamics methods, ring-polymer molecularâ€¦ (More)

Proceedings of the National Academy of Sciencesâ€¦

2008

We have measured differential cross sections (DCSs) for the vibrationally inelastic scattering process H + o-D(2)(v = 0, j = 0,2) --> H + o-D(2)(v' = 1-4, j' even). Several different collisionâ€¦ (More)

A recent approach [S. C. Althorpe, J. Chem. Phys. 124, 084105 (2006)] for interpreting geometric phase (GP) effects in a nuclear wave function confined to the lower of two conically intersectingâ€¦ (More)

Stuart C. Althorpe, Donald J. Kouria, David K. Hoâ€ manb, John Z. H. Zhangc

1997

Recently a formalism has been derived that rigorously partitions the time-dependent wavepacket for a reactive scattering system into mutually disjoint pieces satisfying uncoupled equations. Equationsâ€¦ (More)