262
Index
Q
Quantum decoherence, 126, 174
Quantum yield, 12
Quasi-continuum, 110
Quasi-diabatic states, 147, 207
Quencher, 9, 187
Quenching, 9, 184, 186
Quenching of Na ∗ , 189
R
Rabi frequency, 84
Rabi oscillations, 83
Radiation frequency, 3
Radiationless decay, 8, 104
Radiation pulse, 82, 99, 123
Rates of photophysical processes, 17
Recurrencies, 84
Reichardt’s dye, 67
Renner-Teller effect, 163
Resonance, 85, 90
Rotating wave approximation, 85, 89
Rotational energy, 50
Rotational states, 50
Rotational states, degeneracy, 51
Rotational states, density of, 51
Rotation, separation of, 35
RRKM, 53
RWA, 85
S
SCF, 75
Schrödinger equation, time-dependent, 25,
80
Schrödinger equation, time-independent, 30
Secondary processes, 12
Selection rules, 81
Sensitization, 9, 184, 192
Separation of variables, 32
Sigmatropic reactions, 70
Sign of interaction matrix elements, 200
Sign of transition dipole moments, 200
Simplex, 55
Singlet fission, 187, 193
Singlet wavefunction, 44
Slater determinant, 44
Solvatochromism, 73
Solvent shift, 73
SOMO, 71
Spectral irradiance, 5, 6
Spectrum of an operator, 27
Spin-forbidden transitions, 95
Spin magnetic moment, 46
Spin operator, 44
Spinorbital, 43
Spin-orbit coupling, 47
Spin state, 43
Spiropyran, 20
Spiroxazine, 20
Spontaneous emission, 93
Stark and Einstein law, 2
Stationary states, 30
Stilbene, 114
Stimulated emission, 89
Stratosphere, 13
Strong orthogonality, 190
Superposition principle, 26
Suprafacial, 70
Surface hopping, 172
Symmetry-forbidden transitions, 95
T
TD-DFT, 76, 207
TDSE, 25, 42
Thermalization, 181
Time-dependent perturbation theory, 79, 87
Time-dependent variational principle, 170
Time evolution operator, 26, 30
Time reversal, 163
Transition density matrix, 195
Transition state, 205
Translation, separation of, 33
Triplet sensitization, 192
Triplet–triplet annihilation, 187, 194
Triplet wavefunction, 44
Two-state model, 83
U
Ultraviolet light, 6
Unimolecular reactions, 53, 68
V
Vertical excitation, 129
Vibrational energy, 52
Vibrational predissociation, 104
Vibrational states, 52
Vibrational states, density of, 54
Vibrational structure of electronic spectra,
95
Vibronic states, 37
Index
Q
Quantum decoherence, 126, 174
Quantum yield, 12
Quasi-continuum, 110
Quasi-diabatic states, 147, 207
Quencher, 9, 187
Quenching, 9, 184, 186
Quenching of Na ∗ , 189
R
Rabi frequency, 84
Rabi oscillations, 83
Radiation frequency, 3
Radiationless decay, 8, 104
Radiation pulse, 82, 99, 123
Rates of photophysical processes, 17
Recurrencies, 84
Reichardt’s dye, 67
Renner-Teller effect, 163
Resonance, 85, 90
Rotating wave approximation, 85, 89
Rotational energy, 50
Rotational states, 50
Rotational states, degeneracy, 51
Rotational states, density of, 51
Rotation, separation of, 35
RRKM, 53
RWA, 85
S
SCF, 75
Schrödinger equation, time-dependent, 25,
80
Schrödinger equation, time-independent, 30
Secondary processes, 12
Selection rules, 81
Sensitization, 9, 184, 192
Separation of variables, 32
Sigmatropic reactions, 70
Sign of interaction matrix elements, 200
Sign of transition dipole moments, 200
Simplex, 55
Singlet fission, 187, 193
Singlet wavefunction, 44
Slater determinant, 44
Solvatochromism, 73
Solvent shift, 73
SOMO, 71
Spectral irradiance, 5, 6
Spectrum of an operator, 27
Spin-forbidden transitions, 95
Spin magnetic moment, 46
Spin operator, 44
Spinorbital, 43
Spin-orbit coupling, 47
Spin state, 43
Spiropyran, 20
Spiroxazine, 20
Spontaneous emission, 93
Stark and Einstein law, 2
Stationary states, 30
Stilbene, 114
Stimulated emission, 89
Stratosphere, 13
Strong orthogonality, 190
Superposition principle, 26
Suprafacial, 70
Surface hopping, 172
Symmetry-forbidden transitions, 95
T
TD-DFT, 76, 207
TDSE, 25, 42
Thermalization, 181
Time-dependent perturbation theory, 79, 87
Time-dependent variational principle, 170
Time evolution operator, 26, 30
Time reversal, 163
Transition density matrix, 195
Transition state, 205
Translation, separation of, 33
Triplet sensitization, 192
Triplet–triplet annihilation, 187, 194
Triplet wavefunction, 44
Two-state model, 83
U
Ultraviolet light, 6
Unimolecular reactions, 53, 68
V
Vertical excitation, 129
Vibrational energy, 52
Vibrational predissociation, 104
Vibrational states, 52
Vibrational states, density of, 54
Vibrational structure of electronic spectra,
95
Vibronic states, 37