نتایج جستجو برای: moller plesset
تعداد نتایج: 1319 فیلتر نتایج به سال:
Auxiliary basis sets specifically matched to the correlation consistent cc-pVnZ-PP, ccpwCVnZ-PP, aug-cc-pVnZ-PP and aug-cc-pwCVnZ-PP orbital basis sets (used in conjunction with pseudopotentials) for the 5d transition metal elements Hf-Pt have been optimized for use in density fitting second-order Møller-Plesset perturbation theory and other correlated ab initio methods. Calculations of the sec...
1313 [6] Corrigan et al. (2005) MAPS 40 suppl., 5190 [7] Scott E. R. D. et al. (1990) GCA 60, 1615-1631. [8] Ulff-Moller (1998) MAPS 33, 207-220. 7
New Zealand Journal of Ecology (1997) 21(2): 161-167 ©New Zealand Ecological Society numbers of rabbits killed and how these vary amongst patches of relatively high and low abundance are not usually assessed. Understanding this spatial variability is potentially important in predicting the spatial variation in impacts of standard control operations and sources of subsequent resurgence in rabbit...
Guided by the analogy with Rayleigh–Plesset dynamics of multielectron bubbles in superfluid He-4, we consider cosmological FLRW evolution equation additional cubic and sixth powers inverse scale factor universe. For barotropic parameter w=2∕3 (coasting universe), along zero constant absence viscous terms, using Sundman time as parameter, present parametric solutions for universe terms rational ...
We study the minimal complex surfaces of general type with pg = 0 and K 2 = 7 or 8 whose bicanonical map is not birational. We show that if S is such a surface, then the bicanonical map has degree 2 (see [MP1]) and there is a fibration f : S → P such that: i) the general fibre F of f is a genus 3 hyperelliptic curve; ii) the involution induced by the bicanonical map of S restricts to the hypere...
It has been widely demonstrated in literature that coastal marshes provide positive ecosystem services related to protection, including wave attenuation, storm surge reduction, and erosion prevention (Moller et al., 2014; Wang 2021; Paul Kerpen, 2021). Physical modelling presents a useful tool for investigating the protection function provided by marsh vegetation controlled, repeatable environm...
A modified version of the Møller-Plesset approach for obtaining the correlation energy associated to a Hartree-Fock ground state is proposed. The method is tested in a model of interacting fermions that allows for an exact solution. Using up to third order terms improved results are obtained, even in the limit of loosely bound particles. The study of molecules and larger systems is seriously co...
We give a detailed description of recent developments in reduced scaling ab initio methods for treating electron correlation in atoms and molecules. Since configuration interaction (CI) is the simplest electron correlation method, it is introduced first and used as a context to describe the familiar local correlation and pseudospectral approximations. The article then goes on to discuss the app...
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