Tight binding - PDFSEARCH.IO - Document Search Engine

Tight binding
Results: 35

#	Item
11	PHYSICAL REVIEW B 76, 045114 共2007兲 Linear scaling time-dependent density-functional tight-binding method for absorption spectra of large systems Fan Wang, Chi Yung Yam, and GuanHua Chen* Department of Chemistry, Th Add to Reading List Source URL: yangtze.hku.hk Language: English - Date: 2010-12-19 08:35:07 Computational chemistry Quantum chemistry Theoretical chemistry Matrix theory Numerical linear algebra Matrix Time-dependent density functional theory Eigenvalues and eigenvectors Diagonalizable matrix Algebra Mathematics Linear algebra
12	PHYSICAL REVIEW B 76, 045114 共2007兲 Linear scaling time-dependent density-functional tight-binding method for absorption spectra of large systems Fan Wang, Chi Yung Yam, and GuanHua Chen* Department of Chemistry, Th Add to Reading List Source URL: yangtze.hku.hk Language: English - Date: 2010-12-19 08:35:07 Computational chemistry Quantum chemistry Theoretical chemistry Matrix theory Numerical linear algebra Matrix Time-dependent density functional theory Eigenvalues and eigenvectors Diagonalizable matrix Algebra Mathematics Linear algebra
13	THE JOURNAL OF CHEMICAL PHYSICS 128, 234108 共2008兲 The variational explicit polarization potential and analytical first derivative of energy: Towards a next generation force field Wangshen Xie, Lingchun Song, Donald Add to Reading List Source URL: www.dtc.umn.edu Language: English - Date: 2012-08-16 12:29:06 Theoretical chemistry Basis set Hartree–Fock method Tight binding Atomic orbital Molecular orbital Molecular dynamics Conjugated system Force field Chemistry Quantum chemistry Computational chemistry
14	Enabling Computational Nanotechnology through JavaGenes in a Cycle Scavenging Environment Al Globus,a Madhu Menon,b and Deepak Srivastavaa NASA Ames Research Center, CSC/NAS, Moffett Field, CA[removed]Center for Computati Add to Reading List Source URL: alglobus.net Language: English - Date: 2002-07-22 13:46:01 Computational chemistry Molecular physics Force field Genetic algorithm Molecular dynamics AMBER Nanotechnology Tight binding Chemistry Molecular modelling Science
15	Self-inspection checklist Ladders: portable Are all ladders in good condition, joints between steps and side rails tight, all hardware and fittings securely attached, and moveable parts operating freely without binding Add to Reading List Source URL: www.cbs.state.or.us Language: English - Date: 2014-10-27 04:19:33 Tools Technology Stairways Ladder
16	Enabling Computational Nanotechnology through JavaGenes in a Cycle Scavenging Environment Al Globus,a Madhu Menon,b and Deepak Srivastavaa (a) NASA Ames Research Center, CSC/NAS, Moffett Field, CA[removed]b) Center for Co Add to Reading List Source URL: alglobus.net Language: English - Date: 2002-07-22 13:46:02 Molecular modelling Molecular physics Cybernetics Genetic algorithm Force field Molecular dynamics AMBER Nanotechnology Tight binding Chemistry Science Computational chemistry
17	Ladders: portable Are all ladders in good condition, joints between steps and side rails tight, all hardware and fittings securely attached, and moveable parts operating freely without binding or undue play? Are there no Add to Reading List Source URL: www.cbs.state.or.us Language: English - Date: 2014-10-27 04:22:30 Tools Technology Stairways Ladder
18	Evolving Molecular Force Field Parameters for Si and Ge Al Globus CSC NASA Ames Research Center Madhu Menon Add to Reading List Source URL: alglobus.net Language: English - Date: 2003-05-08 14:21:46 Intermolecular forces Molecular physics Molecular dynamics Force field Genetic algorithm Molecular mechanics Tight binding Chemistry Molecular modelling Computational chemistry
19	Portable Ladders PORTABLE LADDERS Are all ladders maintained in good condition, joints between steps and side rails tight, all hardware and fittings securely attached and moveable parts operating freely without binding Add to Reading List Source URL: labor.hawaii.gov Language: English - Date: 2013-01-11 17:16:12 Tools Technology Stairways Ladder
20	Volume 113, Number 3, May-June[removed]Journal of Research of the National Institute of Standards and Technology [J. Res. Natl. Inst. Stand. Technol. 113, [removed]Accelerating Scientific Discovery Add to Reading List Source URL: www.nist.gov Language: English - Date: 2010-11-12 15:51:46 Quantum chemistry Nanomaterials Atomic physics Computational chemistry Quantum dot Atomic orbital Tight binding Nanoparticle Wetting layer Chemistry Physics Chemical bonding