منابع مشابه
Bridging the gap between quantum Monte Carlo and F12-methods
Tensor product approximation of pair-correlation functions opens a new route from quantum Monte Carlo (QMC) to explicitly correlated F12 methods. Thereby one benefits from stochastic optimization techniques used in QMC to get optimal pair-correlation functions which typically recover more than 85 % of the total correlation energy. Our approach incorporates, in particular, core and core-valence ...
متن کاملThe MP2-F12 method in the TURBOMOLE program package
A detailed description of the explicitly correlated second-order Møller-Plesset perturbation theory (MP2-F12) method, as implemented in the TURBOMOLE program package, is presented. The TURBOMOLE implementation makes use of density fitting, which greatly reduces the prefactor for integral evaluation. Methods are available for the treatment of ground states of open- and closed-shell species, usin...
متن کاملVaccinia virus protein F12 associates with intracellular enveloped virions through an interaction with A36.
Vaccinia virus is the prototypical member of the family Poxviridae. Three morphologically distinct forms are produced during infection: intracellular mature virions (IMV), intracellular enveloped virions (IEV), and extracellular enveloped virions (EEV). Two viral proteins, F12 and A36, are found exclusively on IEV but not on IMV and EEV. Analysis of membranes from infected cells showed that F12...
متن کاملVaccinia virus proteins A36 and F12/E2 show strong preferences for different kinesin light chain isoforms
Vaccinia virus (VACV) utilizes microtubule-mediated trafficking at several stages of its life cycle, of which virus egress is the most intensely studied. During egress VACV proteins A36, F12 and E2 are involved in kinesin-1 interactions; however, the roles of these proteins remain poorly understood. A36 forms a direct link between virions and kinesin-1, yet in its absence VACV egress still occu...
متن کاملExplicit correlation and intermolecular interactions: investigating carbon dioxide complexes with the CCSD(T)-F12 method.
We have optimized the lowest energy structures and calculated interaction energies for the CO(2)-Ar, CO(2)-N(2), CO(2)-CO, CO(2)-H(2)O, and CO(2)-NH(3) dimers with the recently developed explicitly correlated coupled cluster singles doubles and perturbative triples [CCSD(T)]-F12 methods and the associated VXZ-F12 (where X = D,T,Q) basis sets. For a given cardinal number, we find that results ob...
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ژورنال
عنوان ژورنال: Arthropod Management Tests
سال: 2012
ISSN: 2155-9856
DOI: 10.4182/amt.2012.f12