Publications

Author:
Year:

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"Tools for analysing configuration interaction wavefunctions"
P. Delaney and J.C. Greer, September 2003
doi:10.1016/s0927-0256(03)00110-1

"Dissipative discrete breathers: Periodic, quasiperiodic, chaotic, and mobile"
P. J. Martı́nez and M. Meister and L. M. Florı́a and F. Falo, May 2003
doi:10.1063/1.1557237

"Density functional and Monte Carlo studies of sulfur. I. Structure and bonding in Sn rings and chains (n=2–18)"
R. O. Jones and P. Ballone, May 2003
doi:10.1063/1.1568081

"A stabilization mechanism of zirconia based on oxygen vacancies only"
S Fabris, January 2003
doi:10.1016/s1359-6454(02)00385-3

"Exchange potential from the common energy denominator approximation for the Kohn–Sham Green’s function: Application to (hyper)polarizabilities of molecular chains"
Gruening,M. and Gritsenko,O. and Baerends. and, 2002

"On the required shape corrections to the local density and generalized gradient approximations to the Kohn–Sham potentials for molecular response calculations of (hyper)polarizabilities and excitation energies"
Gruening,M. and Gritsenko,O. and van Gisbergen,S. and Baerends,E and, 2002

"The Failure of Generalized Gradient Approximations (GGAs) and Meta-GGAs for the Two-Center Three-Electron Bonds in He2+, (H2O)2+, and (NH3)2+"
Gruening,M. and Gritsenko,O. and van Gisbergen,S. and Baerends,E. and, 2002

"Accurate and efficient many-body potential for hydrogen bonding - Application to water."
Ballone,P. and Akola,J. and Jones,R.O., August 2002

"Silicon segregation from SiO (2-X) sub-oxides: Dynamical Monte Carlo study."
Ballone,P. and Jones,R.O., August 2002

"On the relevance of tunneling for the isotope effect in KDP"
Koval,S. and Kohanoff,J. and Migoni,R.L., 2002

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