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| Computational Tools |
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| Ab-Initio Quantum Chemistry |
TURBOMOLE v5.71 (general) |
GAUSSIAN 03 rev. C02 (general) |
GAMESS (general) |
NWCHEM (highly
parallelized) |
DALTON 2.0 (correlated methods) |
| Semiempirical
Quantum Chemistry |
MOPAC (semiempirical) |
MOCI: INDO/S
calculations for molecules and crystals (author
F. Della Sala) |
DFTB |
| PlaneWaves |
CPMD (molecular dynamics) |
PWSCF (plane wave) |
ABINIT (plane wave) |
| NanoTransport |
TranSiesta-C v1.3b |
Smeagol.0 |
| Inorganic Quantum Nanostructure |
DAVMASS: effective mass and
excitons for dots/rods/tetrapods (author F.
Della Sala, Milena de Giorgi) |
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L. Carbone, C. Nobile, M. De Giorgi
, F. Della Sala
, G. Morello, P.P. Pompa, M. Hytch, E. Snoeck, A. Fiore, I. R. Franchini, M. Nadasan, A. F. Silvestre, L. Chiodo
, S. Kudera, R. Cingolani
, R. Krahne and L. Manna
|
| 26 |
“Synthesis and Micrometer-Scale Assembly of Colloidal CdSe/CdS Nanorods Prepared by a Seeded Growth Approach” |
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Nanoletters in press
|
2007 |
|
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A. Creti`, M. Anni, M. Zavelani Rossi, G. Lanzani, G. Leo, F. Della Sala
, L. Manna
and M. Lomascolo |
| 17 |
“Ultrafast carrier dynamics in core and core/shell CdSe quantum rods: Role of the surface and interface defects” |
| |
Phys. Rev. B 72, 125346
|
2005 |
|
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ETB: tight-binding
calculations for bulk and clusters (author
F. Della Sala) |
MQW: tight-binding
calculations for quantum wells (author F.
Della Sala) |
MSP: tight-binding
calculations bulk parametrizator (author F.
Della Sala) |
| Visualization |
Matlab R14R |
Molden |
Molekel |
gOpenMol |
XCrySDen |
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