Sfoglia per Rivista
CONTROL OF THE ADIABATIC ELECTRONIC STATE IN ABINITIO MOLECULAR-DYNAMICS
1993-01-01 Fois, ETTORE SILVESTRO; Penman, J. I.; Madden, P. A.
CP2K: An electronic structure and molecular dynamics software package - Quickstep: Efficient and accurate electronic structure calculations
2020-01-01 Kühne, Thomas D.; Iannuzzi, Marcella; Del Ben, Mauro; Rybkin, Vladimir V.; Seewald, Patrick; Stein, Frederick; Laino, Teodoro; Khaliullin, Rustam Z.; Schütt, Ole; Schiffmann, Florian; Golze, Dorothea; Wilhelm, Jan; Chulkov, Sergey; Bani-Hashemian, Mohammad Hossein; Weber, Valéry; Borštnik, Urban; Taillefumier, Mathieu; Jakobovits, Alice Shoshana; Lazzaro, Alfio; Pabst, Hans; Müller, Tiziano; Schade, Robert; Guidon, Manuel; Andermatt, Samuel; Holmberg, Nico; Schenter, Gregory K.; Hehn, Anna; Bussy, Augustin; Belleflamme, Fabian; Tabacchi, Gloria; Glöß, Andreas; Lass, Michael; Bethune, Iain; Mundy, Christopher J.; Plessl, Christian; Watkins, Matt; Vandevondele, Joost; Krack, Matthias; Hutter, Jürg
Delayed rejection variational Monte Carlo
2004-01-01 Bressanini, Dario; Morosi, Gabriele; Tarasco, Silvia; Mira, Antonietta
Diffusion Monte Carlo simulations of gas phase and adsorbed D2-(H2)nclusters
2018-01-01 Curotto, E.; Mella, M.
Dipolar host guest interactions and geometrical confinement at the basis of the stability of one-dimensional ice in zeolite bikitaite
1999-01-01 Fois, ETTORE SILVESTRO; Tabacchi, Gloria; Quartieri, S; Vezzalini, G.
Discretization error-free estimate of low temperature statistical dissociation rates in gas phase: Applications to Lennard-Jones clusters X(13-n)Y(n) (n=0-3)
2008-01-01 Mella, Massimo
Dynamics of photoexcited Ba+ cations in 4He nanodroplets
2016-01-01 Leal, Antonio; Zhang, Xiaohang; Barranco, Manuel; Cargnoni, Fausto; Hernando, Alberto; Mateo, David; Mella, Massimo; Drabbels, Marcel; Pi, Martí
e+(PsH)2: A three-positron molecule with a positronic chemical bond
2022-01-01 Bressanini, Dario
Effect of the cluster angular momentum J and the projectile orbital momentum L on capture probability and postcollision dynamics
2009-01-01 Mella, Massimo
Efficient and robust quantum Monte Carlo estimate of the total and spin electron densities at nuclei
2008-01-01 P., Hakansson; Mella, Massimo
Efficient calculation of low energy statistical rates for gas phase dissociation using umbrella sampling
2006-01-01 Mella, Massimo
Electronic quantum Monte Carlo calculations of atomic forces, vibrations, and anharmonicities
2005-01-01 M. W., Lee; Mella, Massimo; A. M., Rappe
Energy and density analyses of the H2 molecule from the united atom to dissociation: the 1 Sigma g states.
2009-01-01 Corongiu, Giorgina; E., Clementi
Energy and density analysis of the H2 molecule from the united atom to dissociation: The 3 Sigma g and 3 Sigma u states.
2009-01-01 Corongiu, Giorgina; Clementi, E.
Enhancement of depletion forces by electrostatic depletant repulsion
2010-01-01 Buzzaccaro, S.; Piazza, R.; Colombo, Jader; Parola, Alberto
Exploring the importance of quantum effects in nucleation: The archetypical Ne_n case
2012-01-01 Unn Toc, W.; Halberstadt, N.; Meier, C.; Mella, Massimo
Fluctuating pseudoatoms in metallic fluids
1989-01-01 Goldstein, R. E.; Parola, Alberto; Smith, A. P.
Ground state and excitation dynamics in Ag doped helium clusters
2002-01-01 Mella, Massimo; M. C., Colombo; Morosi, Gabriele
Ground state and excitation dynamics in Ag doped helium clusters
2002-01-01 Mella, Massimo; Colombo, Mc; Morosi, Gabriele
Ground state potential energy surfaces and bound states of M-He dimers (M=Cu,Ag,Au): A theoretical investigation
2008-01-01 F., Cargnoni; T., Kus; Mella, Massimo; R. J., Bartlett
Titolo | Data di pubblicazione | Autore(i) | File |
---|---|---|---|
CONTROL OF THE ADIABATIC ELECTRONIC STATE IN ABINITIO MOLECULAR-DYNAMICS | 1-gen-1993 | Fois, ETTORE SILVESTRO; Penman, J. I.; Madden, P. A. | |
CP2K: An electronic structure and molecular dynamics software package - Quickstep: Efficient and accurate electronic structure calculations | 1-gen-2020 | Kühne, Thomas D.; Iannuzzi, Marcella; Del Ben, Mauro; Rybkin, Vladimir V.; Seewald, Patrick; Stein, Frederick; Laino, Teodoro; Khaliullin, Rustam Z.; Schütt, Ole; Schiffmann, Florian; Golze, Dorothea; Wilhelm, Jan; Chulkov, Sergey; Bani-Hashemian, Mohammad Hossein; Weber, Valéry; Borštnik, Urban; Taillefumier, Mathieu; Jakobovits, Alice Shoshana; Lazzaro, Alfio; Pabst, Hans; Müller, Tiziano; Schade, Robert; Guidon, Manuel; Andermatt, Samuel; Holmberg, Nico; Schenter, Gregory K.; Hehn, Anna; Bussy, Augustin; Belleflamme, Fabian; Tabacchi, Gloria; Glöß, Andreas; Lass, Michael; Bethune, Iain; Mundy, Christopher J.; Plessl, Christian; Watkins, Matt; Vandevondele, Joost; Krack, Matthias; Hutter, Jürg | |
Delayed rejection variational Monte Carlo | 1-gen-2004 | Bressanini, Dario; Morosi, Gabriele; Tarasco, Silvia; Mira, Antonietta | |
Diffusion Monte Carlo simulations of gas phase and adsorbed D2-(H2)nclusters | 1-gen-2018 | Curotto, E.; Mella, M. | |
Dipolar host guest interactions and geometrical confinement at the basis of the stability of one-dimensional ice in zeolite bikitaite | 1-gen-1999 | Fois, ETTORE SILVESTRO; Tabacchi, Gloria; Quartieri, S; Vezzalini, G. | |
Discretization error-free estimate of low temperature statistical dissociation rates in gas phase: Applications to Lennard-Jones clusters X(13-n)Y(n) (n=0-3) | 1-gen-2008 | Mella, Massimo | |
Dynamics of photoexcited Ba+ cations in 4He nanodroplets | 1-gen-2016 | Leal, Antonio; Zhang, Xiaohang; Barranco, Manuel; Cargnoni, Fausto; Hernando, Alberto; Mateo, David; Mella, Massimo; Drabbels, Marcel; Pi, Martí | |
e+(PsH)2: A three-positron molecule with a positronic chemical bond | 1-gen-2022 | Bressanini, Dario | |
Effect of the cluster angular momentum J and the projectile orbital momentum L on capture probability and postcollision dynamics | 1-gen-2009 | Mella, Massimo | |
Efficient and robust quantum Monte Carlo estimate of the total and spin electron densities at nuclei | 1-gen-2008 | P., Hakansson; Mella, Massimo | |
Efficient calculation of low energy statistical rates for gas phase dissociation using umbrella sampling | 1-gen-2006 | Mella, Massimo | |
Electronic quantum Monte Carlo calculations of atomic forces, vibrations, and anharmonicities | 1-gen-2005 | M. W., Lee; Mella, Massimo; A. M., Rappe | |
Energy and density analyses of the H2 molecule from the united atom to dissociation: the 1 Sigma g states. | 1-gen-2009 | Corongiu, Giorgina; E., Clementi | |
Energy and density analysis of the H2 molecule from the united atom to dissociation: The 3 Sigma g and 3 Sigma u states. | 1-gen-2009 | Corongiu, Giorgina; Clementi, E. | |
Enhancement of depletion forces by electrostatic depletant repulsion | 1-gen-2010 | Buzzaccaro, S.; Piazza, R.; Colombo, Jader; Parola, Alberto | |
Exploring the importance of quantum effects in nucleation: The archetypical Ne_n case | 1-gen-2012 | Unn Toc, W.; Halberstadt, N.; Meier, C.; Mella, Massimo | |
Fluctuating pseudoatoms in metallic fluids | 1-gen-1989 | Goldstein, R. E.; Parola, Alberto; Smith, A. P. | |
Ground state and excitation dynamics in Ag doped helium clusters | 1-gen-2002 | Mella, Massimo; M. C., Colombo; Morosi, Gabriele | |
Ground state and excitation dynamics in Ag doped helium clusters | 1-gen-2002 | Mella, Massimo; Colombo, Mc; Morosi, Gabriele | |
Ground state potential energy surfaces and bound states of M-He dimers (M=Cu,Ag,Au): A theoretical investigation | 1-gen-2008 | F., Cargnoni; T., Kus; Mella, Massimo; R. J., Bartlett |
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