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A semiclassical correction for quantum mechanical energy levels
Mon, 2010-08-16 20:47 — Anonymous
Alexey L. Kaledin, C. William McCurdy, and William H. Miller We propose a semiclassical method for correcting molecular energy levels obtained from a quantum mechanical variational calculation. A variational calculation gives the energy level (i.e., eigenvalue) as the expectation value of the molecular Hamiltonian , where |phi> is the trial wave fu ... [J. Chem. Phys. 133, 054101 (2010)] published Mon Aug 2, 2010.
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