Publications
1995-99
 1999 Winkler, B; Pickard, CJ; Milman, V; Klee, WE; Thimm, G,
"Prediction of a nanoporous sp(2)-carbon framework structure by combining graph theory with quantum mechanics",
Chemical Physics Letters, Vol 312, Issue 5-6, Page 536-541.
 
 1999 Lin, J; Lee, MH; Liu, ZP; Chen, CT; Pickard, CJ,
"Mechanism for linear and nonlinear optical effects in beta-BaB2O4 crystals",
Physical Review B, Vol 60, Issue 19, Page 13380-13389.
 
 1999 Rez, P; Alvarez, JR; Pickard, C,
"Calculation of near edge structure",
Ultramicroscopy, Vol 78, Issue 1-4, Page 175-183.
 
 1999 Pickard, CJ; Payne, MC,
"Extrapolative approaches to Brillouin-zone integration",
Physical Review B, Vol 59, Issue 7, Page 4685-4693.
 
 1998 Griewatsch, C; Winkler, B; Milman, V; Pickard, CJ,
"Prediction of structural parameters and physical properties of CsHSO3 up to 60 GPa",
Physical Review B, Vol 57, Issue 8, Page 4321-4326.
 
 1997 Pickard, CJ; Payne, MC,
"Ab initio EELS: beyond the fingerprint",
Electron Microscopy and Analysis 1997 Issue 153, Page 179-182.
 
 1997 Moreau, P; Pickard, C; Duguet, T,
"Anisotropy in EELS of TiS2",
Electron Microscopy and Analysis 1997 Issue 153, Page 637-640.
 
 1996 Segall, MD; Shah, R; Pickard, CJ; Payne, MC,
"Population analysis of plane-wave electronic structure calculations of bulk materials",
Physical Review B, Vol 54, Issue 23, Page 16317-16320.
 
 1996 Segall, MD; Pickard, CJ; Shah, R; Payne, MC,
"Population analysis in plane wave electronic structure calculations",
Molecular Physics, Vol 89, Issue 2, Page 571-577.
 
 1995 Pickard, CJ; Payne, MC; Brown, LM; Gibbs, MN,
"Ab initio EELS with a plane wave basis set",
Electron Microscopy and Analysis 1995, Vol 147, Page 211-214.