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29 May 2014 | Downloads | Contributor(s): Bryan M. Wong
Eckart Inertias: calculates effective Eckart inertias for large-amplitude torsions. The Eckart inertias are obtained by solving a system of transcendental equations using the Powell dogleg method....
Pitzer Inertias: calculates effective Pitzer inertias for large-amplitude torsions
Mandelbrotx: plots interesting Mandelbrot-like sets. These codes make pretty nice pictures.
Franck-Condon Overlap Integrals
Franck-Condon Overlap Integrals: calculates the vibrational overlap integral between two nuclear wavefunctions using the formalism developed by Sharp and Rosenstock [J. Chem. Phys., 41, 3453 (1964)].
PAMELA (Pseudospectral Analysis Method with Exchange & Local Approximations)
PAMELA (Pseudospectral Analysis Method with Exchange & Local Approximations): calculates electronic energies, densities, wavefunctions, and band-bending diagrams for core-shell nanowires within a...
MOSCNT: code for carbon nanotube transistor simulation
3.5 out of 5 stars
14 Nov 2006 | Downloads | Contributor(s): Siyu Koswatta, Jing Guo, Dmitri Nikonov
Ballistic transport in carbon nanotube metal-oxide-semiconductor field-effect transistors (CNT-MOSFETs) is simulated using the Non-equilibrium Green’s function formalism. A cylindrical...
recursive algorithm for NEGF in Matlab
0.0 out of 5 stars
13 Nov 2006 | Downloads | Contributor(s): Dmitri Nikonov, Siyu Koswatta
This zip-archive contains two Matlab functions for the recursive solution of the partial matrix inversion and partial 3-matrix multiplication used in the non-equilibrium Green’s function (NEGF)...
MATLAB Scripts for "Quantum Transport: Atom to Transistor"
5.0 out of 5 stars
15 Mar 2005 | Downloads | Contributor(s): Supriyo Datta
Tinker with quantum transport models! Download the MATLAB scripts used to demonstrate the physics described in Supriyo Datta's book Quantum Transport: Atom to Transistor. These simple models are...