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Иш: Non-conventional tight-binding method for simulation of atomic clusters and solids

Nonconventional tight-binding method for the calculation of the total energy and spectroscopic energies of atomic clusters: Transferable parameters for silicon
Z. M. Khakimov, Polina Tereshchuk, N. T. Sulaymanov +2
МақолаAdvanced Chemical Physics StudiesPhysical Review B20058 иқтибос
ABI
A new semiempirical electronic structure and total energy calculation method for solids and large molecules
Z. M. Khakimov
МақолаAdvanced Chemical Physics StudiesComputational Materials Science19948 иқтибос
ABI
Bonding and stabilities of small silicon clusters: A theoretical study of Si7–Si1
Krishnan Raghavachari, Celeste McMichael Rohlfing
Мақола19885 иқтибос
ABI
(110) surface atomic structures of covalent and ionic semiconductors
D. J. Chadi
Мақола19795 иқтибос
ABI
Ionization of medium-sized silicon clusters and the geometries of the cations
Bei Liu, Zhong-Yi Lu, Bicai Pan +4
Мақола19983 иқтибос
ABI
Bond-order potentials: Theory and implementation
A. P. Horsfield, A. M. Bratkovsky, M. Fearn +2
Мақола19962 иқтибос
ABI
A comparison of orthogonal sp-based tight-binding models for silicon
P. D. Godwin, Amanda Killen Roberts, Decai Yu +2
Мақола20012 иқтибос
ABI
Spectroscopic Evidence for the Tricapped Trigonal Prism Structure of Semiconductor Clusters
Jürgen Müller, Bei Liu, Alexandre A. Shvartsburg +5
Мақола20002 иқтибос
ABI
Structure and vibrational spectra of low-energy silicon clusters
A. Sieck, D. Porezag, Thomas Frauenheim +2
Мақола19972 иқтибос
ABI
Structures and stability of medium silicon clusters. II. <i>Ab initio</i> molecular orbital calculations of Si12–Si20
Xiaolei Zhu, Xiao Cheng Zeng, Y. A. Lei +1
Мақола20042 иқтибос
ABI
Сарлавҳасиз
Бошқа1 иқтибос
ABI