Zobrazeno 1 - 10
of 11
pro vyhledávání: '"Dwayne L. Knirk"'
Publikováno v:
International Journal of Quantum Chemistry. 12:337-341
The Feshbach projection operator formalism has been employed to calculate the energies of compound slate resonances in some collinear atom—diatom systems. Comparison with available close-coupled scattering calculations for the same systems shows th
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::4c74b311fa12d4029f055ca861c76f70
https://doi.org/10.1002/qua.560120840
https://doi.org/10.1002/qua.560120840
Autor:
Richard C. Liedtke, Dwayne L. Knirk
Publikováno v:
International Journal of Quantum Chemistry. 12:327-336
A new model for the interaction potential in collinear atom-diatom systems is proposed. Attractive features of the model are ease of understanding the parameters, separability in the coordinates, and considerable flexibility. Examples of the model ar
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::005655b89250909bfbb8525d8561c5d0
https://doi.org/10.1002/qua.560120839
https://doi.org/10.1002/qua.560120839
Autor:
Dwayne L Knirk
Publikováno v:
Journal of Computational Physics. 21:371-399
Four quadrature schemes have been tested and compared in considerable detail to determine their usefulness in the noniterative integral equation method for single channel quantum mechanical calculations. They are two forms of linear approximation (Tr
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::dc52f3c4d578eac5b8bccd9ba106f957
https://doi.org/10.1016/0021-9991(76)90037-1
https://doi.org/10.1016/0021-9991(76)90037-1
Autor:
Dwayne L. Knirk
Publikováno v:
The Journal of Chemical Physics. 60:66-80
We formulate and develop an expansion of N‐electron atomic wavefunctions in hyperspherical coordinates. The expansion basis is a complete set of functions of 3N − 1 angle variables which describe the relative configuration of the electrons. The s
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::ce239f817d5dff3b2f1d5606a1e52148
https://doi.org/10.1063/1.1680808
https://doi.org/10.1063/1.1680808
Autor:
Dwayne L. Knirk
Publikováno v:
Physical Review Letters. 32:651-654
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::bb34bcc2c737a261461754c6687717bb
https://doi.org/10.1103/physrevlett.32.651
https://doi.org/10.1103/physrevlett.32.651
Autor:
Dwayne L. Knirk
Publikováno v:
The Journal of Chemical Physics. 57:4782-4788
It is shown that equations furnished by the noniterative integral equation method can be used to construct a procedure for including the effects of long range potential ``tails'' into a calculation in which the potential has been truncated at rN. In
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::0234f32160069df7278716c4ba7591a7
https://doi.org/10.1063/1.1678150
https://doi.org/10.1063/1.1678150
Autor:
Dwayne L. Knirk, Z. W. Salsburg
Publikováno v:
The Journal of Chemical Physics. 54:1251-1270
The hydrodynamic equations for the reactive Eulerian fluid (zero transport coefficients, one chemical reaction) have been used in the thermodynamic approach to calculate in detail the spectrum of scattered light. The mathematical technique employed w
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::f4d1660f69c972aa513377f5b887a428
https://doi.org/10.1063/1.1674963
https://doi.org/10.1063/1.1674963
Publikováno v:
The Journal of Chemical Physics. 57:4770-4781
A noniterative integral equation approach to electron‐hydrogen atom scattering, including exchange, has been developed for the case in which all available channels are open. The technique has been implemented on a computer for the calculation of cr
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::caef9f6adc8c6dc93fd7ded1f34b45f6
https://doi.org/10.1063/1.1678149
https://doi.org/10.1063/1.1678149
Autor:
Glen O. Morrell, Dwayne L. Knirk
Publikováno v:
Theoretica Chimica Acta. 37:345-347
We have recently formulated an expansion of the N electron wavefunction in an appropriate set of harmonics on the 3 N-dimensional hypersphere. Angular correlation appears in the usual way, while radial correlation appears as a “generalized angular
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::a79695aa32d068ceebe9b53c9799fd32
https://doi.org/10.1007/bf01028404
https://doi.org/10.1007/bf01028404
Autor:
Dwayne L. Knirk
Publikováno v:
Proceedings of the National Academy of Sciences. 71:1291-1293
A generalized partial wave expansion of atomic wavefunctions has been shown to allow exact solution of the many-electron Schrödinger equation. This solution is constructed here by an algebraic recursion method, and several analytical properties of s
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::37929e04817c99d88059ecece415933a
https://doi.org/10.1073/pnas.71.4.1291
https://doi.org/10.1073/pnas.71.4.1291