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+#!/usr/bin/env python%0A#%0A# Author: Qiming Sun %3Cosirpt.sun@gmail.com%3E%0A#%0A%0Afrom pyscf import gto, dft, tddft%0A%0A'''%0AA simple example to run TDDFT calculation.%0A'''%0A%0Amol = gto.Mole()%0Amol.build(%0A    atom = 'H 0 0 0; F 0 0 1.1',  # in Angstrom%0A    basis = '631g',%0A    symmetry = True,%0A)%0A%0Amf = dft.RKS(mol)%0Amf.xc = 'b3lyp'%0Amf.kernel()%0A%0Amytd = tddft.TDDFT(mf)%0A#mytd.nstates = 10%0Amytd.kernel()%0Aprint('Excitation energy (eV)', mytd.e * 27.2114)%0A

Add tddft example