Analytic High-Order {Energy|Power} Derivatives for Metal Nanoparticle-Mediated Infrared and Raman Scattering Spectra {within the|inside the} Framework of Quantum Mechanics/Molecular Mechanics Model with Induced Charges and Dipoles
This {work|function|perform|operate} is devoted to deriving and implementing analytic second- and third-order {energy|power} derivatives with respect tothe nuclear coordinates and external electric field {within the|inside the} framework {of the|from the|in…