Now showing items 1-4 of 4

    • Computer simulation of liquid methanol ii:system size effects 

      Casulleras Ambrós, Joaquín; Guàrdia Manuel, Elvira (1991-01)
      Article
      Restricted access - publisher's policy
      A series of molecular dynamics simulations of liquid methanol has been carried out on a supernode transputer array. Four system sizes from 125 to 512 molecules have been considered, in order to study the effect of system ...
    • High-order time expansion path integral ground state 

      Rota, Riccardo; Casulleras Ambrós, Joaquín; Mazzanti Castrillejo, Fernando Pablo; Boronat Medico, Jordi (2010-01)
      Article
      Open Access
      The feasibility of path integral Monte Carlo ground state calculations with very few beads using a high-order short-time Green’s function expansion is discussed. An explicit expression of the evolution operator which provides ...
    • Pràctiques de Laboratori 

      Canales Gabriel, Manel; Trullàs Simó, Joaquim; Ametller Congost, Lluís; Llanta Salleras, Estanislao; Rey Oriol, Rosendo; Casulleras Ambrós, Joaquín; Mazzanti Castrillejo, Fernando Pablo; Boronat Medico, Jordi; Martí Rabassa, Jordi; Guàrdia Manuel, Elvira; Sesé Castel, Gemma; Pastor Satorras, Romualdo (Universitat Politècnica de Catalunya, 2015)
      Practice
      Open Access
    • Quantum Monte Carlo estimation of complex-time correlations for the study of the ground-state dynamic structure function 

      Rota, R; Casulleras Ambrós, Joaquín; Mazzanti Castrillejo, Fernando Pablo; Boronat Medico, Jordi (2015-03-21)
      Article
      Open Access
      We present a method based on the path integral Monte Carlo formalism for the calculation of ground-state time correlation functions in quantum systems. The key point of the method is the consideration of time as a complex ...