scholarly journals Enhancing Dipolar Interactions between Molecules Using State-Dependent Optical Tweezer Traps

2020 ◽  
Vol 125 (24) ◽  
Author(s):  
L. Caldwell ◽  
M. R. Tarbutt
1985 ◽  
Vol 46 (C6) ◽  
pp. C6-283-C6-286
Author(s):  
A. Bradbury ◽  
S. Menear ◽  
R. W. Chantrell ◽  
K. O'Grady

2000 ◽  
Vol 653 ◽  
Author(s):  
Celeste Sagui ◽  
Thoma Darden

AbstractFixed and induced point dipoles have been implemented in the Ewald and Particle-Mesh Ewald (PME) formalisms. During molecular dynamics (MD) the induced dipoles can be propagated along with the atomic positions either by interation to self-consistency at each time step, or by a Car-Parrinello (CP) technique using an extended Lagrangian formalism. The use of PME for electrostatics of fixed charges and induced dipoles together with a CP treatment of dipole propagation in MD simulations leads to a cost overhead of only 33% above that of MD simulations using standard PME with fixed charges, allowing the study of polarizability in largemacromolecular systems.


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