N-representable representation, 264
Nuclear finite size effect, 213
O
Off-diagonal correlations, 273
Off-Diagonal Long-Range Order (ODLRO),
262, 278
Organic electronic devices, 160
Oscillator strengths, 208
P
Pairwise interactions, 29, 30
Paradigm of evolution, 249, 278
Parallel universe, 248
Parkinson’s Disease, 116
Particle-antiparticle pairs, 279
Path Integral Molecular Dynamics (PIMD), 79,
81
π-electron ring current, 159–161
Photoelectron cross sections, 148
Photoionization, 148
Photon propagator, 208
Plasmonic, 37
Pixelation model of spacetime, 222
Planck amplitude, 222–226, 236, 238
Planck amplitude waves, 222, 224, 225, 226
Planck charge, 230, 232–234, 238
Planck force, 231, 232, 240, 244
Planck length, 221, 223, 224, 227, 241, 243
Planck time, 221, 223, 224, 243
Plane wave basis sets, 41
Plasmonic nanoparticles, 38
Poisson distribution, 273, 277
Poisson statistics, 275
Polarisable Continuum Model (PCM), 93, 97,
104, 105, 108
Polarizability, 39, 41, 42, 61, 62, 66, 70
Polarized distortion of spacetime, 239
Potential energy curve (PEC), 4, 6, 8, 11, 18,
25, 26
Prigogine energy superoperator, 266
Propellants, 147
Propositional logics, 255
Proton quantum confinement, 86
Protonated ammonia dimer, 79
Pseudopotential, 39, 40–42, 45, 46, 50, 81
Q
QM/MM calculations, 117, 126
Quantitative Structure Activity Relationship
(QSAR), 106
Quantum beat, 169
Quantum chromodynamics, 221
Quantum-classical dichotomy, 00
Quantum confinement, 86, 88
Quantum electrodynamics, 221, 243
Quantum switching, 159, 161, 170, 172
Quantum wave packet, 178
Quasi-adiabatic solutions, 137, 140
Quasi-elastic broadening, 178
Quasiparticles, 207
R
Radial distribution function, 115, 118, 122,
124, 125, 127
Radiation pressure, 223
Random phase approximation, 42
Rayleigh–Schrodinger perturbation theory, 56
Reaction cross section, 280
Real-time TDDFT, 40
Relativistic Dirac-Kohn-Sham, 66
Relativistic electrons, 235
Relativistic many-body perturbation theory, 57,
62, 64
Relativistic mean-field nuclear potential, 200
Relativistic orbitals, 57, 63, 71
Relativistic perturbation theory, 55, 73
Relativistic quantum chemistry, 199
Relaxation, 41, 155, 178, 190, 267, 280
Response function, 42, 49, 50
Ring current, 159–161, 165-169, 174
RMF model, 203, 204
S
Satellite or correlation peaks, 154
Schwarzschild line element, 253
Schwarzschild metric, 248, 249
Schwarzschild radius, 242, 254
Second law, 260
Segrè characteristics, 252
Self-energy, 197, 199–201, 212, 213
Self-organisation, 248
SHAKE algorithm, 118
Short iterative Lanczos, 181
Silver clusters, 37–40, 42
Solute-solvent interactions, 108
Solvent Accessible Surface Accessible Area
(SASA), 115, 117, 118, 121, 122,
124
Solvent polarity, 92, 108, 110
Spacetime field, 2, 4, 6, 7, 9, 10, 15–18, 20, 22,
25, 220, 222, 224, 226, 227, 228,
233–236, 238, 240, 241, 243, 244
Spacetime model, 221, 225, 227, 229, 231,
235, 236, 238, 243
Spatio-temporal mnemonic entity, 249, 272
288
Index
Nuclear finite size effect, 213
O
Off-diagonal correlations, 273
Off-Diagonal Long-Range Order (ODLRO),
262, 278
Organic electronic devices, 160
Oscillator strengths, 208
P
Pairwise interactions, 29, 30
Paradigm of evolution, 249, 278
Parallel universe, 248
Parkinson’s Disease, 116
Particle-antiparticle pairs, 279
Path Integral Molecular Dynamics (PIMD), 79,
81
π-electron ring current, 159–161
Photoelectron cross sections, 148
Photoionization, 148
Photon propagator, 208
Plasmonic, 37
Pixelation model of spacetime, 222
Planck amplitude, 222–226, 236, 238
Planck amplitude waves, 222, 224, 225, 226
Planck charge, 230, 232–234, 238
Planck force, 231, 232, 240, 244
Planck length, 221, 223, 224, 227, 241, 243
Planck time, 221, 223, 224, 243
Plane wave basis sets, 41
Plasmonic nanoparticles, 38
Poisson distribution, 273, 277
Poisson statistics, 275
Polarisable Continuum Model (PCM), 93, 97,
104, 105, 108
Polarizability, 39, 41, 42, 61, 62, 66, 70
Polarized distortion of spacetime, 239
Potential energy curve (PEC), 4, 6, 8, 11, 18,
25, 26
Prigogine energy superoperator, 266
Propellants, 147
Propositional logics, 255
Proton quantum confinement, 86
Protonated ammonia dimer, 79
Pseudopotential, 39, 40–42, 45, 46, 50, 81
Q
QM/MM calculations, 117, 126
Quantitative Structure Activity Relationship
(QSAR), 106
Quantum beat, 169
Quantum chromodynamics, 221
Quantum-classical dichotomy, 00
Quantum confinement, 86, 88
Quantum electrodynamics, 221, 243
Quantum switching, 159, 161, 170, 172
Quantum wave packet, 178
Quasi-adiabatic solutions, 137, 140
Quasi-elastic broadening, 178
Quasiparticles, 207
R
Radial distribution function, 115, 118, 122,
124, 125, 127
Radiation pressure, 223
Random phase approximation, 42
Rayleigh–Schrodinger perturbation theory, 56
Reaction cross section, 280
Real-time TDDFT, 40
Relativistic Dirac-Kohn-Sham, 66
Relativistic electrons, 235
Relativistic many-body perturbation theory, 57,
62, 64
Relativistic mean-field nuclear potential, 200
Relativistic orbitals, 57, 63, 71
Relativistic perturbation theory, 55, 73
Relativistic quantum chemistry, 199
Relaxation, 41, 155, 178, 190, 267, 280
Response function, 42, 49, 50
Ring current, 159–161, 165-169, 174
RMF model, 203, 204
S
Satellite or correlation peaks, 154
Schwarzschild line element, 253
Schwarzschild metric, 248, 249
Schwarzschild radius, 242, 254
Second law, 260
Segrè characteristics, 252
Self-energy, 197, 199–201, 212, 213
Self-organisation, 248
SHAKE algorithm, 118
Short iterative Lanczos, 181
Silver clusters, 37–40, 42
Solute-solvent interactions, 108
Solvent Accessible Surface Accessible Area
(SASA), 115, 117, 118, 121, 122,
124
Solvent polarity, 92, 108, 110
Spacetime field, 2, 4, 6, 7, 9, 10, 15–18, 20, 22,
25, 220, 222, 224, 226, 227, 228,
233–236, 238, 240, 241, 243, 244
Spacetime model, 221, 225, 227, 229, 231,
235, 236, 238, 243
Spatio-temporal mnemonic entity, 249, 272
288
Index