Index
A
Absolutely continuous spectrum, 260
Absorption cross section, 42
Accessible surface, 121, 122
Adiabatic approach, 135, 137, 139
Adiabatic broadening, 69, 70
Adiabatic potentials, 138, 141
Adiabatic theory
coupled channel equations, 137
instantaneous solutions, 137
photodissociation rates, 140
Aether, 22
Alzheimer’s disease, 116
AMBER Force Field
Generalized (GAFF), 117
Analytic dilation technique, 260
Anandamide, 115–119, 121–123, 125–127
Angular momentum, 46, 159–165, 167, 168,
170–174, 219, 224–227, 235–237,
240, 243, 249, 253, 278–281
Anticancer, 91
Anticommutator, 266
Antisymmetrized Geminal Power, 263
Anti-Wronscian, 209, 210
Arrow of time, 248
Artificial intelligence, 249, 254
Aufbau principle, 4, 8
Axial chirality, 160
B
Bands, 183
Bathochromic shift, 77, 78, 84, 86–88
Bias chart, 257
Biological teleonomic processes, 270
Biomolecular homochirality, 249
Bispherical coordinate system, 29–31, 36
Black hole, 249
Bloch equation, 266
Born-Oppenheimer approximation, 265
Bose-Einstein condensate, 225
Bosonic condensate, 279
BSSE using the counterpoise method, 94
C
Cannabinoid receptors, 116
Car-Parrinello PIMD algorithm, 81
CASPT2, 7
Catalytic triad, 116
Causality, 260
Cellular Q-value, 273
Chemical synapses, 277
Chiral aromatic molecules, 160
Circularly polarized photons, 241
Circularly polarized UV laser pulses, 160
Coherent, 117, 159–162, 165–172, 174, 187,
241, 269, 272
Coherent-dissipative structures, 272
Coherent ring current, 167, 174
Coleman-Sasaki theorem, 263
Collisional shift
temperature dependence, 70
Communication protocol, 275
Compton angular frequency, 225, 226, 229
Compton wavelength, 225, 227, 234, 236, 238,
243
Conclusion, 145
Conduction band transitions, 38
Configuration interaction (CI)
SAC-CI, 147–156
Confined photon, 237
Conical intersections, 255
Conjugate gradient method, 41
Conjugate operators, 247, 252, 278
Conjugate variables, 249
Contact surface, 122–124, 126
Continuum pressure effects, 73
Convoluted spectrum, 152
Correlated dissipative ensemble, 267
© Springer International Publishing Switzerland 2015
M.A.C. Nascimento et al. (eds.), Frontiers in Quantum Methods and Applications
in Chemistry and Physics, Progress in Theoretical Chemistry and Physics 29,
DOI 10.1007/978-3-319-14397-2
285
A
Absolutely continuous spectrum, 260
Absorption cross section, 42
Accessible surface, 121, 122
Adiabatic approach, 135, 137, 139
Adiabatic broadening, 69, 70
Adiabatic potentials, 138, 141
Adiabatic theory
coupled channel equations, 137
instantaneous solutions, 137
photodissociation rates, 140
Aether, 22
Alzheimer’s disease, 116
AMBER Force Field
Generalized (GAFF), 117
Analytic dilation technique, 260
Anandamide, 115–119, 121–123, 125–127
Angular momentum, 46, 159–165, 167, 168,
170–174, 219, 224–227, 235–237,
240, 243, 249, 253, 278–281
Anticancer, 91
Anticommutator, 266
Antisymmetrized Geminal Power, 263
Anti-Wronscian, 209, 210
Arrow of time, 248
Artificial intelligence, 249, 254
Aufbau principle, 4, 8
Axial chirality, 160
B
Bands, 183
Bathochromic shift, 77, 78, 84, 86–88
Bias chart, 257
Biological teleonomic processes, 270
Biomolecular homochirality, 249
Bispherical coordinate system, 29–31, 36
Black hole, 249
Bloch equation, 266
Born-Oppenheimer approximation, 265
Bose-Einstein condensate, 225
Bosonic condensate, 279
BSSE using the counterpoise method, 94
C
Cannabinoid receptors, 116
Car-Parrinello PIMD algorithm, 81
CASPT2, 7
Catalytic triad, 116
Causality, 260
Cellular Q-value, 273
Chemical synapses, 277
Chiral aromatic molecules, 160
Circularly polarized photons, 241
Circularly polarized UV laser pulses, 160
Coherent, 117, 159–162, 165–172, 174, 187,
241, 269, 272
Coherent-dissipative structures, 272
Coherent ring current, 167, 174
Coleman-Sasaki theorem, 263
Collisional shift
temperature dependence, 70
Communication protocol, 275
Compton angular frequency, 225, 226, 229
Compton wavelength, 225, 227, 234, 236, 238,
243
Conclusion, 145
Conduction band transitions, 38
Configuration interaction (CI)
SAC-CI, 147–156
Confined photon, 237
Conical intersections, 255
Conjugate gradient method, 41
Conjugate operators, 247, 252, 278
Conjugate variables, 249
Contact surface, 122–124, 126
Continuum pressure effects, 73
Convoluted spectrum, 152
Correlated dissipative ensemble, 267
© Springer International Publishing Switzerland 2015
M.A.C. Nascimento et al. (eds.), Frontiers in Quantum Methods and Applications
in Chemistry and Physics, Progress in Theoretical Chemistry and Physics 29,
DOI 10.1007/978-3-319-14397-2
285