Gadre, S. R. ; Ramaswamy, R. ; Narasimhan, P. T. (1997) Electron momentum distributions and compton profiles of some molecules with FSGO model Pramana - Journal of Physics, 8 (2). pp. 99-107. ISSN 0304-4289
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Official URL: http://www.ias.ac.in/j_archive/pramana/8/2/99-107/...
Related URL: http://dx.doi.org/10.1007/BF02868058
Abstract
The electron momentum distributions and the Compton profiles (within the impulse approximation) of H2, LiH, methane, water, acetylene, ethylene, ethane cyclopropane and cyclobutane have been calculated using the floating spherical Gaussian orbital (FSGO) wavefunctions. The agreement of the single-FSGO Compton profiles with the corresponding experimental or the Hartree-Fock (HF-SCF) theoretical ones is fairly good in most of the cases examined. The advantages and drawbacks of using the FSGO model for the calculation of Compton profiles are discussed.
| Item Type: | Article |
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| Source: | Copyright of this article belongs to Indian Academy of Sciences. |
| Keywords: | Electron Momentum Distributions; Compton Profiles; FSGO Model of Molecular Structure |
| ID Code: | 10516 |
| Deposited On: | 04 Nov 2010 05:17 |
| Last Modified: | 16 May 2016 20:07 |
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