Výsledky vyhledávání - "C. A. Weatherford"

An analytic approach to electron-molecule potentials using STOs

Publikováno v: International Journal of Quantum Chemistry. 18:493-502

Using Guseinov's translation formula for a complex Slater-type orbital (STO) and Steinborn's overlap integral between two Slaters on different centers, an analytic approach to electron-molecule interaction potentials has been developed. The theory pr

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::26a8f50816250f032ac529a7804aad2d
https://doi.org/10.1002/qua.560180852

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An Effective Polarization Potential for Low-Energy Electron-H2 Collisions

Autor: C A Weatherford, Ronald J W Henry and M C Bruels

Publikováno v: Proceedings of Indian National Science Academy, Vol 39, Iss 6A (2015)

An Effective Polarization Potential for Low-Energy Electron-H2 Collisions

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doajarticles::d1ea9e79dafa999ebd0b6ace42b1d107
https://insa.nic.in/writereaddata/UpLoadedFiles/PINSA/Vol39A_1973_6_Art07.pdf

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Dimerization of defect fullerenes and the orientational phase transition in oxidized C60 fullerite

Autor: G L, Gutsev, K G, Belay, C A, Weatherford, V N, Vasilets, E M, Anokhin, A V, Maksimychev, O V, Val'ba, V M, Martynenko, S A, Baskakov, E S, Leskova, Y M, Shulga

Publikováno v: Journal of nanoscience and nanotechnology. 11(3)

Oxidized fullerite was obtained by heating a fullerite sample intercalated with oxygen, (O2)0.44C60, up to 300 degrees C. Orientational phase transitions in the oxidized fullerite are studied using differential scanning calorimetry (DSC) and have bee

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=pmid________::9265214792bae13f9d01ebc6ce38d679
https://pubmed.ncbi.nlm.nih.gov/21449325

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An all-electron density functional theory study of the structure and properties of the neutral and singly charged M12 and M13 clusters: M = Sc–Zn

Autor: K. G. Belay, Gennady L. Gutsev, Bala R. Ramachandran, Puru Jena, C. W. Weatherford

Publikováno v: The Journal of Chemical Physics. 138:164303

The electronic and geometrical structures of the M12 and M13 clusters where M = Sc, Ti, V, Cr, Mn, Fe, Co, Ni, Cu, and Zn along with their singly negatively and positively charged ions are studied using all-electron density functional theory within t

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::d558f5cacb2b37bb8993eb4186927bcf
https://doi.org/10.1063/1.4799917

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The (Non-Iterative) Partial Differential Equation Method: Application to Electron-Molecule Scattering

Autor: A. Temkin, C. A. Weatherford

Publikováno v: Computational Methods for Electron—Molecule Collisions ISBN: 9781475797992

In this article, we will present a brief but, hopefully, logically consistent precis of the non-iterative partial differential equation (PDE) approach to electron-molecule scattering. Finer details of the method may be found in articles to which we s

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::3d68f729b5ba0645c4f215d8fb15f204
https://doi.org/10.1007/978-1-4757-9797-8_7

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Analytical Methods Using Slater-Type Orbitals in Quantum Chemistry

Autor: C. A. Weatherford, H. W. Jones

It has been our objective and that of several other groups to use Slater-type orbitals, STOs, characterized by exp(-R) in problems of ab initio quantum chemistry rather than the currently used Gaussian-type orbitals, GTOs, characterized by exp(-R(sup

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::0c79920807cb80434ae0ba61406cd0b4
https://doi.org/10.21236/ada251044

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Extension of PDE method to 3 dimensions: Application to e-molecule scattering

Autor: E. C. Sullivan, A. Temkin, C. A. Weatherford

Publikováno v: AIP Conference Proceedings.

The noniterative method of solving elliptic partial differential equations (pde) is generalized from two dimensions (2d) to (3d). The generalization is done in the context of electron (or positron)‐molecule scattering. Application is being made to

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::6959cdb74b000831739566c6822cb9a8
https://doi.org/10.1063/1.39185

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