The first-order zero-point vibrational averaging correction for second harmonic generation in para-nitroaniline has been determined analytically at the time-dependent Hartree-Fock level of approximation using schemes based on the 2n + 1 rule and the interchange relations. This correction may represent a large contribution to the total β(-2ω; ω, ω) response for high frequencies.
- Second harmonic generation
- Time-dependent Hartree-Fock
- Zero-point vibrational averaging