Polarizable force fields based on physical models and quantum chemical calculations
نویسندگان
چکیده
منابع مشابه
Polarizable force fields.
Standard force fields used in biomolecular computing describe electrostatic interactions in terms of fixed, usually atom-centered, charges. Real physical systems, however, polarize substantially when placed in a high-dielectric medium such as water--or even when a strongly charged system approaches a neutral body in the gas phase. Such polarization strongly affects the geometry and energetics o...
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Since general relativity is a consistent low energy effective field theory, it is possible to compute quantum corrections to classical forces. Here we compute a quantum correction to the gravitational potential between a pair of polarizable objects. We study two distant bodies and compute a quantum force from their induced quadrupole moments due to two-graviton exchange. The effect is in close ...
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ژورنال
عنوان ژورنال: International Journal of Quantum Chemistry
سال: 2014
ISSN: 0020-7608
DOI: 10.1002/qua.24829