نتایج جستجو برای: exact diagonalization method
تعداد نتایج: 1723603 فیلتر نتایج به سال:
We propose an accurate and efficient method to compute vibrational spectra of molecules, based on exact diagonalization of an algebraically calculated matrix based on powers of Morse coordinate. The present work focuses on the 1D potential of diatomic molecules: as typical examples, we apply this method to the standard LennardJones oscillator, and to the ab-initio potential of the H2 molecule. ...
We introduce a point of view for treating the dynamical tunneling splitting of symmetric local mode vibrational states in ABA molecules (A = H typically) which is the one we have employed in treating the vibrational spectroscopy of CH overtones in molecules such as (CXs),YCCH. Namely, the vibrational coupling corresponding to the dynamical tunneling in semiclassical mechanics via many intermedi...
there are many approaches for solving variety combinatorial optimization problems (np-compelete) that devided to exact solutions and approximate solutions. exact methods can only be used for very small size instances due to their expontional search space. for real-world problems, we have to employ approximate methods such as evolutionary algorithms (eas) that find a near-optimal solution in a r...
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