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ACRONYMS USED IN
THEORETICAL CHEMISTRY
Please follow the alphabetical
links below to each acronym on file.
K
KAM |
Kolmogorov-Arnold-Moser
(theorem in quantum stochasticity) |
KCS |
k-matrix centrifugal sudden
(in mol.-scattering theory) |
KDV |
Korteweg-de Vries (equation
for solitons) |
KEDF |
kinetic-energy density
functional |
KKR |
Korringa-Kohn-Rostoker
(in band structure calcn.) |
KKRASA |
Korringa-Kohn-Rostoker
atomic-sphere approxn. (in band structure) |
KKRZ |
Korringa-Kohn-Rostoker-Ziman
(in energy-band calcns.) |
KR |
Kuharski and Rossky potential
- R. A. Kuharski and P. J. Rossky, J. Am. Chem. Soc. 106, 5786
(1984) |
KRHF |
Kramers restricted Hartree-Fock |
KRMC |
Kinetic referenced modified
Cayley method - R. S. Judson, D. B. McGarrah, O. A. Sharafeddin, D.
J. Kouri, and D. K. Hoffman, J. Chem. Phys. 94, 3577 (1991) |
KRMP2 |
Kramers restricted M�ller-Plesset
second-order (perturbation theory) |
KRSSO |
kinetic referenced symmetric
split operator method. |
KS |
Kohn-Sham method - R. G.
Parr & W. Yang, Density-Functional Theory of Atoms and Molecules,
(OUP, 1989) |
KSA |
Kirkwood superposition
approximation |
KS-LDA |
Kohn-Sham local density
approximation - R. G. Parr & W. Yang, Density-Functional Theory
of Atoms and Molecules, (OUP, 1989) |
KT |
Koopmans' theorem - T.
A. Koopmans, Physica , 1, 104 (1933) |
KVP |
Kohn variational principle |
The
focal point to which to send comments and suggestions is the coordinator
of the project:
RONALD
D. BROWN
Chemistry Department, Monash University, Clayton Victoria 3168, Australia
Responses by e-mail would be particularly appreciated, the number being:
[email protected]
another alternative is fax at: +61 3 9905 4597
Page last modified 27 May, 1999.
Copyright � 1997, 98, 99 International Union of Pure and Applied Chemistry.
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