Chiral effects in electron scattering by molecules using a continuum multiple scattering method

We present a method for calculating chiral observables in the elastic scattering of electrons by closed shell molecules with particular emphasis on the molecules being large and containing more than one heavy nucleus. We use an extension of the continuum multiple scattering method in which the molecular region is divided into `atomic' spherical regions centred on each nucleus. The interaction potential in each region is the the sum of a spherically symmetric spin-independent term and a spin-orbit term; the interaction potential between the `atomic' spheres and inside the molecule is constant. Solutions are obtained in each region, and between the regions; enforcing continuity of the solutions across region boundaries leads to a K-matrix and a scattering amplitude, from which the chiral observables are obtained. The method is tested for HCl against a fuller treatment in which exchange and spin-orbit interactions are included exactly. Applications are also made to HBr, , and two chiral molecules and CHBrClF.

[1]  C. Nolting,et al.  Electron dichroism - new data and an experimental cross-check , 1997 .

[2]  K. Blum,et al.  Chiral Effects in Electron Scattering by Molecules , 1997 .

[3]  D. Thompson Chiral effects in the scattering of electrons by molecules , 1996 .

[4]  D. Luckhaus,et al.  Fermi resonance structure and femtosecond quantum dynamics of a chiral molecule from the analysis of vibrational overtone spectra of CHBrClF , 1996 .

[5]  C. Nolting,et al.  Electron scattering from chiral molecules , 1996 .

[6]  R. Greer,et al.  Chiral effects in the scattering of electrons by oriented H2O and H2S , 1995 .

[7]  D. Thompson,et al.  Electron-optic dichroism and electron-optic activity , 1995 .

[8]  Kessler,et al.  Experimental verification of electron optic dichroism. , 1995, Physical review letters.

[9]  P. Burke,et al.  Low-energy electron scattering by HBr , 1993 .

[10]  K. Blum,et al.  Chiral effects in spin-dependent elastic electron scattering from molecules , 1993 .

[11]  G. Herzberg,et al.  Molecular Spectra and Molecular Structure , 1992 .

[12]  K. Blum,et al.  Attenuation of longitudinally polarized electron beams by chiral molecules , 1990 .

[13]  M. L. Dourneuf,et al.  e-HCl and e-HBr scattering calculations in the valence space , 1990 .

[14]  H. Ehrhardt Electron Collisions with Molecules , 1990 .

[15]  K. Blum,et al.  Spin-dependent electron scattering from oriented molecules , 1989 .

[16]  S. Hayashi Asymmetry in elastic scattering of polarised electrons by optically active molecules , 1988 .

[17]  R. Hegstrom β Decay and the origins of biological chirality: theoretical results , 1982, Nature.

[18]  P. Faragó Electron optic dichroism and electron optic activity , 1981 .

[19]  T. Mukoyama,et al.  Possible rearrangement processes in L-shell ionisation of atoms by heavy ions , 1981 .

[20]  P. Faragó Spin-dependent features of electron scattering from optically active molecules , 1980 .

[21]  D. Dill,et al.  Total elastic electron scattering cross section for N 2 between 0 and 1000 eV , 1977 .

[22]  D. Dill,et al.  Electron-molecule scattering and molecular photoionization using the multiple-scattering method , 1974 .

[23]  Shunsuke Hara,et al.  The Scattering of Slow Electrons by Hydrogen Molecules , 1967 .

[24]  R. Moccia Optimization of the basis functions in SCF MO calculations optimized one-center SCF MO basis set for HCL , 1967 .

[25]  K. H. Hellwege,et al.  Landolt-Börnstein Zahlenwerte und Funktionen aus Naturwissenschaften und Technik, Neue Serie , 1961 .