Density functional theory for pair correlation functions in polymeric liquids
A density functional theory is presented for the pair correlation functions in polymeric liquids. The theory uses the Yethiraj–Woodward free-energy functional for the polymeric liquid, where the ...
A density functional theory is presented for the pair correlation functions in polymeric liquids. The theory uses the Yethiraj–Woodward free-energy functional for the polymeric liquid, where the ...
Temperature in the classical microcanonical ensemble
We show that a formula for the temperature of a classical system, originally given by Rugh, can be generalized. The result is that the inverse of the temperature is proportional to the average of the ...
We show that a formula for the temperature of a classical system, originally given by Rugh, can be generalized. The result is that the inverse of the temperature is proportional to the average of the ...
The dispersion of the polarizability of C60: A confirmation of recent experimental results through theoretical calculations
J. Chem. Phys. 114, 4331 (2001); doi:10.1063/1.1343899
Issue Date: 1 March 2001
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We present frequency-dependent linear response calculations of the polarizability of C60 using a Hartree–Fock reference wave function. The results indicate that the apparent dispersion of the polarizability as extracted from two recent, independent experiments are slightly too large, although our results are consistent with both experiments to within experimental uncertainty. ©2001 American Institute of Physics.
| History: | Received 8 November 2000; accepted 6 December 2000 |
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http://link.aip.org/link/?JCPSA6/114/4331/1 |
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KEYWORDS and PACS
- 36.40.Cg
Exotic atoms and molecules; macromolecules; clusters Atomic and molecular clusters Electronic and magnetic properties of clusters - 31.15.Ne
Electronic structure of atoms and molecules: theory Calculations and mathematical techniques in atomic and molecular physics (excluding electron correlation calculations) Self-consistent-field methods - YEAR: 2001
PUBLICATION DATA
0021-9606 (print)
1089-7690 (online)
AIP
REFERENCES (19)
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