34 citations · 99 across the 4 of their papers we have counts for
4 papers
Exciton self-trapping in bulk polyethylene
D. Ceresoli, M. C. Righi, E. Tosatti +3
We studied theoretically the behavior of an injected electron-hole pair in crystalline polyethylene. Time-dependent adiabatic evolution by ab-initio molecular dynamics simulations…
SiC(0001): a surface Mott-Hubbard insulator
V. I. Anisimov, A. E. Bedin, M. A. Korotin +3
We present ab-initio electronic structure calculations for the Si-terminated SiC(0001) surface. While local density approximation (LDA) calculations predict…
First Principles Calculations of Charge and Spin Density Waves of sqr3-Adsorbates on Semiconductors
S. Scandolo, F. Ancilotto, G. L. Chiarotti +3
We present ab-initio electronic structure results on the surface of sqr3 adsorbates. In particular, we address the issue of metal-insulator instabilities, charge-density-waves (CDW…
Atomic and electronic structure of ideal and reconstructed -Sn (111) surface
Zhong-Yi Lu, Guido L. Chiarotti, S. Scandolo +1
We have carried out an ab-initio study of -Sn (111), with the aim of predicting and understanding its structure, reconstructions, and electronic states. We consider a variety of…