121 citations · 366 across the 12 of their papers we have counts for
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cond-mat.other2006★ 1 cited
A priori Wannier functions from modified Hartree-Fock and Kohn-Sham equations
Christian Buth
The Hartree-Fock equations are modified to directly yield Wannier functions following a proposal of Shukla et al. [Chem. Phys. Lett. 262, 213-218 (1996)]. This approach circumvents…
cond-mat.other2006★ 5 cited
Quasiparticle band structure of infinite hydrogen fluoride and hydrogen chloride chains
Christian Buth
We study the quasiparticle band structure of isolated, infinite HF and HCl bent (zigzag) chains and examine the effect of the crystal field on the energy levels of the constituent…
cond-mat.mtrl-sci2006
Hydrogen bonding in infinite hydrogen fluoride and hydrogen chloride chains
Christian Buth, Beate Paulus
Hydrogen bonding in infinite HF and HCl bent (zigzag) chains is studied using the ab initio coupled-cluster singles and doubles (CCSD) correlation method. The correlation contribut…