✦ LIBER ✦

Nonconventional tight-binding method for the calculation of the total energy and spectroscopic energies of atomic clusters: Transferable parameters for silicon

✍ Scribed by Khakimov, Z. M.; Tereshchuk, P. L.; Sulaymanov, N. T.; Umarova, F. T.; Swihart, M. T.

Book ID: 121308589
Publisher: The American Physical Society
Year: 2005
Tongue: English
Weight: 295 KB
Volume: 72
Category: Article
ISSN: 1098-0121
DOI: 10.1103/PhysRevB.72.115335

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Ionization potentials and cohesive energ

Ionization potentials and cohesive energies of silicon clusters from the semi-empirical total energy tight binding method

✍ Chulsu Jo; Keeyung Lee 📂 Article 📅 1999 🏛 Elsevier Science 🌐 English ⚖ 86 KB

The ionization potentials and cohesive energies of small Si n s 2 ; 13 clusters have been calculated using the tight n binding method based on Anderson's formalism. The matrix elements were obtained from the Slater-Koster terms using the universal parameters of Harrison. The structures of clusters w

Tight-binding calculations of the band s

Tight-binding calculations of the band structure and total energies of the various polytypes of silicon carbide

✍ Bernstein, N.; Gotsis, H. J.; Papaconstantopoulos, D. A.; Mehl, M. J. 📂 Article 📅 2005 🏛 The American Physical Society 🌐 English ⚖ 149 KB

A tight-binding method for the evaluatio

A tight-binding method for the evaluation of the total energy of large systems

✍ M. J. Mehl; D. A. Papaconstantopoulos; R. E. Cohen 📂 Article 📅 1995 🏛 Springer 🌐 English ⚖ 312 KB

Self-Consistent Tight-Binding Method for

Self-Consistent Tight-Binding Method for Total Energy Calculations of Tetrahedral Semiconductors Including Surfaces and Defects

✍ F. Bechstedt; D. Reichardt; R. Enderlein 📂 Article 📅 1985 🏛 John Wiley and Sons 🌐 English ⚖ 951 KB

The virial-statistical method for calcul

The virial-statistical method for calculating the energies of atoms and molecules II. Energies and atomization of molecules

✍ Yu. A. Borisov 📂 Article 📅 1977 🏛 SP MAIK Nauka/Interperiodica 🌐 English ⚖ 389 KB

Application of the Method of Tight Bindi

Application of the Method of Tight Binding to the Calculation of the Energy Band Structures of Diamond, Silicon, and Sodium Crystals

✍ Chaney, Roy; Lin, Chun; Lafon, Earl 📂 Article 📅 1971 🏛 The American Physical Society 🌐 English ⚖ 894 KB