scholarly journals Exact solution of the two-axis two-spin Hamiltonian

2021 ◽  
Vol 2021 (10) ◽  
pp. 103104
Author(s):  
Feng Pan ◽  
Yao-Zhong Zhang ◽  
Xiaohan Qi ◽  
Yue Liang ◽  
Yuqing Zhang ◽  
...  
1986 ◽  
Vol 47 (6) ◽  
pp. 1029-1034 ◽  
Author(s):  
J.C. Parlebas ◽  
R.H. Victora ◽  
L.M. Falicov

2007 ◽  
Vol 7 (1) ◽  
pp. 25-47 ◽  
Author(s):  
I.P. Gavrilyuk ◽  
M. Hermann ◽  
M.V. Kutniv ◽  
V.L. Makarov

Abstract The scalar boundary value problem (BVP) for a nonlinear second order differential equation on the semiaxis is considered. Under some natural assumptions it is shown that on an arbitrary finite grid there exists a unique three-point exact difference scheme (EDS), i.e., a difference scheme whose solution coincides with the projection of the exact solution of the given differential equation onto the underlying grid. A constructive method is proposed to derive from the EDS a so-called truncated difference scheme (n-TDS) of rank n, where n is a freely selectable natural number. The n-TDS is the basis for a new adaptive algorithm which has all the advantages known from the modern IVP-solvers. Numerical examples are given which illustrate the theorems presented in the paper and demonstrate the reliability of the new algorithm.


2019 ◽  
Author(s):  
Madhumita Rano ◽  
Sumanta K Ghosh ◽  
Debashree Ghosh

<div>Combining the roles of spin frustration and geometry of odd and even numbered rings in polyaromatic hydrocarbons (PAHs), we design small molecules that show exceedingly small singlet-triplet gaps and stable triplet ground states. Furthermore, a computationally efficient protocol with a model spin Hamiltonian is shown to be capable of qualitative agreement with respect to high level multireference calculations and therefore, can be used for fast molecular discovery and screening.</div>


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