[PDF] Top 20 Multireference quantum Monte Carlo study of the O4 molecule.
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Multireference quantum Monte Carlo study of the O4 molecule.
... to the gas phase van der Waals complex, but the much shorter (30%) intermolecular distances were taken as evidence of a new form of ...on the basis of density functional theory, ... Voir le document complet
5
Quantum Monte Carlo Calculations on a Benchmark Molecule–Metal Surface Reaction: H 2 + Cu(111)
... With the setup described above, the calculation involves the description of 64 Cu-atoms and thus the description of 840 correlated ...above, the present setup has been ... Voir le document complet
13
Clock Monte Carlo methods
... consider the 2D and 3D Heisenberg models with oscillatory Ruderman- Kittel-Kasuya-Yosida (RKKY) interactions J ij = J 0 (cos(2k F r ij )/r d ij ) exp(−r ij /λ), where d is the spatial dimension, k F is ... Voir le document complet
7
Alleviating the sign problem in quantum Monte Carlo simulations of spin-orbit-coupled multiorbital Hubbard models
... in the study of exotic phases in correlated electron systems [1], such as unconventional superconductivity in 4d transition- metal oxides [2–9], topological phases of matter in quantum ... Voir le document complet
10
Quantum Monte Carlo calculations of electronic excitation energies: the case of the singlet n to pi* (CO) transition in acrolein
... state-of-the-art quantum Monte Carlo calculations of the singlet n → π ∗ (CO) vertical excitation energy in the acrolein molecule, extending the ... Voir le document complet
7
What causes the forecasting failure of Markov-switching models ? A Monte Carlo study
... show the poor performance of non-linear models against the linear counterpart for ...explore the robustness of this result for a wide range of DGPs (MSI, MSIH, MSM and MSMH) and ... Voir le document complet
14
Monte Carlo algorithm for strongly interacting non-equilibrium quantum systems in nanoelectronics
... bring the electrons motion in many more directions than in 1D, where there are only two ...number of electrons — this is required for a magnetic moment to exist — see their conductance increase when ... Voir le document complet
115
Selection of the number of factors in presence of structural instability: a Monte Carlo study
... estimator of the number of factors - in the approxi- mated factor models - that performs well even when the idiosyncratic terms are ...that the idiosyncratic components of ... Voir le document complet
35
Testing Fractional Order of Long Memory Processes: A Monte Carlo Study
... by the researchers. Generally the choice of the process corresponds to a specific problematic and no comparison has been carried out with dif- ferent types of long memory ...use ... Voir le document complet
15
Monte Carlo Beam Search
... Nested Monte-Carlo Search parallelizes quite well until at least 64 cores ...[8]. The parallelization of Monte-Carlo Beam Search is even more simple than the paralleliza- ... Voir le document complet
7
Nested Monte-Carlo Search
... and the high score is inapproximable within n 1− for any > 0 unless P = NP [Demaine et ...diagonal. The starting position already contains circles disposed as in figure ...In the disjoint ... Voir le document complet
6
TRIQS/CTHYB: A continuous-time quantum Monte Carlo hybridization expansion solver for quantum impurity problems
... discuss the optimisation of the calculation of the atomic trace using a tree ...that the use of such a tree does not change the Markov chain, but is simply a method ... Voir le document complet
21
Testing fractional order of long memory processes : a Monte Carlo study
... gree of persistence of the memory parameter using the null of Robinson ...one of the major drawback in empirical macroeconomics is the rather small amount of ... Voir le document complet
16
Reflexive Monte-Carlo Search
... In the next section we present Morpion Solitaire. In the third section we detail re- flexive Monte-Carlo ...In the fourth section we give experimental ...1983. The current record ... Voir le document complet
9
Efficient Monte Carlo Calculations of the One-Body Density
... in the works of Hiller et ...classes of global operators built for computing the density have been ...works, the general idea is to design operators whose expectation values give an ... Voir le document complet
13
Correlations in the Monte Carlo Glauber model
... where the centrality is typically deter- mined according to the ...fixing the number of sources, therefore our simulations in this paper are al- ways carried out for fixed ...both the ... Voir le document complet
15
Numerical Study of Light Transport in Apple Models Based on Monte Carlo Simulations
... that the internal light dose strongly depends on the presence of the ...confines the backscattered photons near the sub-surface of the two-layer spherical ...to ... Voir le document complet
16
Thermodynamic study of water confinement in hydrophobic zeolites by Monte Carlo simulations
... amount of crystalline ...box of eight to twelve unit cells with periodic boundary ...in the classical limit (no bond breaking taking place, for ...by the fact that no structural or chemical ... Voir le document complet
18
Méthodes de Monte-Carlo en finance
... où r s désigne le taux d’intérêt instantané, τ t,T l’ensemble des temps d’arrêt à valeurs dans [t, T ], Φ la fonction payoff et (F t ) une filtration donnée. cette for- mule telle qu’elle est explicitée est presque ... Voir le document complet
16
Troc Combinatoire à Monte-Carlo
... de Monte-Carlo 1 Allocation Distribuée de Ressources Indivisibles Cet article s’intéresse au problème de partage de ressources indivisibles par des mécanismes distri- ... Voir le document complet
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