https://www.selleckchem.com/pr....oducts/pi3k-hdac-inh
We found that the convergence toward the complete basis set is much faster for quite a wide range of values of μ. We also propose a specific value of μ, which essentially reproduces the results obtained with the frozen Gaussian geminal introduced by Ten-no [Chem. Phys. Lett. 330, 169 (200].The photodetachment spectrum of the nitrate anion (NO3-) is simulated from first principles using wavepacket quantum dynamics propagation and a newly developed accurate full-dimensional fully coupled five state diabatic potential model
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