natural polarization
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Author(s):  
Krzysztof Wolinski ◽  
Peter Pulay

Generalized polarizabilities and the molecular charge distribution can describe the response of a molecule in an arbitrary static electric field up to second order. Depending on the expansion functions used to describe the perturbing potential, the generalized polarizability matrix can have rather large dimension (~1000). This matrix is the discretized version of the density response function or electronic susceptibility. Diagonalizing and truncating it can lead to significant (over an order of magnitude) speed-up in simulations. We have analyzed the convergence behavior of the generalized polarizability using a plane wave basis for the potential. The eigenfunctions of the generalized polarizability matrix are the natural polarization potentials. They are potentially useful to construct efficient polarizability models for molecules.


2019 ◽  
Vol 115 (11) ◽  
pp. 112104 ◽  
Author(s):  
X. Zhou ◽  
J. R. Howell-Clark ◽  
Z. Guo ◽  
C. W. Hitchcock ◽  
T. P. Chow

2019 ◽  
Vol 6 (5) ◽  
pp. 054307
Author(s):  
François Auvray ◽  
David Dennetiere ◽  
Alexandre Giuliani ◽  
Frédéric Jamme ◽  
Frank Wien ◽  
...  

2018 ◽  
Vol 15 (05) ◽  
pp. 1850081
Author(s):  
Suratno Basu ◽  
Indranil Biswas ◽  
Krishanu Dan

Given a compact Riemann surface [Formula: see text] and a moduli space [Formula: see text] of parabolic stable bundles on it of fixed determinant of complete parabolic flags, we prove that the Poincaré parabolic bundle on [Formula: see text] is parabolic stable with respect to a natural polarization on [Formula: see text].


2006 ◽  
Vol 45 (8A) ◽  
pp. 6379-6381
Author(s):  
Hirotaka Shimotori ◽  
Shun Fujitsuka ◽  
Satoru Noge ◽  
Takehiko Uno

1986 ◽  
Vol 34 (4) ◽  
pp. 475-491 ◽  
Author(s):  
A. ERCAN ◽  
M. DRAHOR ◽  
E. ATASOY

1984 ◽  
Vol 25 (3) ◽  
pp. 506-512 ◽  
Author(s):  
V. Aldaya ◽  
J. A. de Azcárraga ◽  
K. B. Wolf
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