نتایج جستجو برای: spin multiplicity
تعداد نتایج: 138744 فیلتر نتایج به سال:
An implementation of the projected gradient method for locating the minimum energy crossing point between electronic states of different symmetry/multiplicity within the equation-of-motion coupled-cluster family of methods is reported. The method is applied to characterize the intersections between electronic states in N3 , NO2, and para-benzyne using the excitation energies, ionization potenti...
Let Bn denote the centralizer of a fixed-point free involution in the symmetric group S2n. Each of the four one-dimensional representations of Bn induces a multiplicity-free representation of S2n, and thus the corresponding Hecke algebra is commutative in each case. We prove that in two of the cases, the primitive idempotents can be obtained from the power-sum expansion of Schur's Q-functions, ...
Alpha-particle energy spectra and angular distributions with respect to the estimated spin direction of residual nuclei have been measured in heavy-ion fusion reactions. The spin direction was determined for each event by measuring the y-ray angular correlation patterns using the Spin Spectrometer. Measurements were made for the compound nuclear systems " Sn*(94 MeV), " Sn (80 MeV), '"Nd (82 Me...
The reaction mechanism for nitrous oxide decomposition has been studied on hydrated and dehydrated mononuclear iron sites in Fe-ZSM-5 using density functional theory. In total, 46 different surface species with different spin states (spin multiplicity M(S) = 4 or 6) and 63 elementary reactions were considered. Heats of adsorption, activation barriers, reaction rates, and minimum energy pathways...
Abstract A comprehensive description of the optical cycle spin defects in solids requires understanding electronic and atomistic structure states with different multiplicity, including singlet which are particularly challenging from a theoretical standpoint. We present general framework, based on spin-flip time-dependent density function theory, to determine excited state potential energy surfa...
این پایان نامه شامل چهر فصل می باشد که در فصل اول به بیان تعاریف و مفاهیمی خواهیم پرداخت که در طول این پژوهش مورد نیاز است.در فصل دوم به بررسی خمینه هایی با ساختار (spin(7 خوهیم پرداخت.در فصل سوم به بررسی تجزیه فضای فرم ها خواهیم پرداخت، و در فصل چهارم با استفاده از مشتق گیری معادلات، شار عمومی روی ساختار (spin(7 را بدست خواهیم آورد.
We consider RVB state as a variational estimate for the ground state of Heisenberg antiferromagnet in square lattice. We present numerical calculation of energy, spin-spin correlation function and spin excitation spectrum. We show, that the quantum flactuations reduce of magnetization respect to Neel order. Our results are in good agreement with other methods such as spin-wave calculation a...
In this paper, we investigate the multiplicity of charged particles in e+ e– annihilation by using different models. To achieve this we first fit the multiplicity distribution of charged particles in the energy range of 54-57 GeV by using both the Poisson distribution and KNO scaling, then we compare these results with multiplicity distribution at the lower energies. This comparison shows that...
ما در این پایان نامه مفهوم ضرب خارجی روی $ mathbb{r}^{4} $ را تعریف خواهیم نمود و به کمک این ضرب یک ضرب شرکت پذیر روی $ mathbb{r}^{5} $ تعریف می نماییم که $ mathbb{r}^{5} $ با جمع معمولی و ضرب اسکالر و این ضرب شرکت پذیر یک جبر شرکت پذیر خواهد بود و با استفاده از این جبر نمایشی از گروه های لی کواترنیون ها و $ su(2) $ را بدست می آوریم. همچنین ما روی فضای $ mathbb{r}^{6} $ یک ضرب خارجی تعریف می ...
Spin correlations of $\Lambda$-hyperons embedded in the QCD strings formed high energy collider experiments provide unique insight into their locality and entanglement features. We show from general considerations that while Clauser-Horne-Shimony-Holt inequality is less stringent for such states, they a benchmark quantum-to-classical transitions induced by varying i) associated hadron multiplic...
نمودار تعداد نتایج جستجو در هر سال
با کلیک روی نمودار نتایج را به سال انتشار فیلتر کنید