DOI: 10.1063/1.438492. Dynamics and ensemble averages for the polarization models of molecular interactions

Dynamics and ensemble averages for the polarization models of molecular interactions

10.1063/1.438492

Crossref journal-article

AIP Publishing

The Journal of Chemical Physics (317)

Abstract

A family of ’’polarization models’’ has been generated for description of polarizable and deformable molecules in condensed phases. Within these models the intermolecular forces are not pairwise additive, but have a many-body component that generalizes the polarization interactions present in conventional electrostatics. It is shown that the classical dynamical equations have a rather compact form, in spite of the many-body interactions. Novel molecular distribution functions are introduced in terms of which the usual formulas of statistical thermodynamics can be expressed. Finally, the static dielectric constant is discussed for the polarization models, and it is related to fluctuating local moments in the system.

Bibliography

Stillinger, F. H. (1979). Dynamics and ensemble averages for the polarization models of molecular interactions. The Journal of Chemical Physics, 71(4), 1647â1651.

Authors 1

F. H. Stillinger (first)

References 12 Referenced 78

{'key': '2024020918193487700_r1', 'first-page': '1', 'volume': '31', 'year': '1975', 'journal-title': 'Adv. Chem. Phys.'} / Adv. Chem. Phys. (1975)
10.1063/1.436773 / J. Chem. Phys. (1978)
10.1002/qua.560140512 / Int. J. Quantum Chem. (1978)
10.1080/14786447008640370 / Philos. Mag. (1870)
{'key': '2024020918193487700_r5'}
10.1063/1.430718 / J. Chem. Phys. (1975)
{'key': '2024020918193487700_r7'}
{'key': '2024020918193487700_r8'}
10.1063/1.1750343 / J. Chem. Phys. (1939)
10.1063/1.1699105 / J. Chem. Phys. (1953)
{'key': '2024020918193487700_r11', 'first-page': '235', 'volume': '238', 'year': '1956', 'journal-title': 'Proc. R. Soc. (London) Ser. A'} / Proc. R. Soc. (London) Ser. A (1956)
{'key': '2024020918193487700_r12'}

Dates

Type	When
Created	22 years, 6 months ago (Feb. 27, 2003, 4:39 p.m.)
Deposited	1 year, 6 months ago (Feb. 9, 2024, 3:23 p.m.)
Indexed	1 week, 1 day ago (Aug. 26, 2025, 2:55 a.m.)
Issued	46 years ago (Aug. 15, 1979)
Published	46 years ago (Aug. 15, 1979)
Published Print	46 years ago (Aug. 15, 1979)

Funders 0

None

BibTeX

@article{Stillinger_1979, title={Dynamics and ensemble averages for the polarization models of molecular interactions}, volume={71}, ISSN={1089-7690}, url={http://dx.doi.org/10.1063/1.438492}, DOI={10.1063/1.438492}, number={4}, journal={The Journal of Chemical Physics}, publisher={AIP Publishing}, author={Stillinger, F. H.}, year={1979}, month=aug, pages={1647–1651} }

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