Exponential correlation, 29, 32
F
Fine-structure constant, 361, 367–369, 371,
375, 377
Functional derivative, 332, 335, 343, 346
Functional differentiability, 331, 332
G
General relativity, 370–372, 381, 385, 389
Geometric phase, 265, 266, 268–270, 274, 275
Gravitational invariant, 361, 371, 372, 377, 378
Gyromagnetic factor, 365, 367, 369, 378
H
Helium, 203, 204, 207–210, 253
Homochirality, 95, 96
Hydrogen, 30, 76, 82, 83, 100, 101, 108, 128,
130, 132, 135, 144, 151, 155–158, 164,
165, 169–171, 173, 190, 191, 193, 195,
198, 199, 201, 204, 206–210, 253, 255,
256, 265, 267, 268, 281, 289, 297, 305,
307, 309, 368, 369, 372, 377
Hydrogen bonding, 156, 164, 193, 201, 283,
309
Hylleraas-CI, 29–31, 33, 39
Hylleraas functions, 29, 30, 33
I
Intramolecular hydrogen bond, 283, 305
Ionization potential, 65, 213, 224, 230, 247,
348
J
Jozimine A 2 , 305–307, 310–313, 316, 318,
320, 322, 324, 325
K
Kinetic-energy integrals, 29, 33, 39
L
Light velocity, 235, 365
M
Magnetic moment, 88, 213, 222, 361, 364, 377
Many-body theory, 243, 244, 259, 260
Matter antimatter, 369
Molecular orbital, 119, 149, 204, 213, 215, 306
Multicharged ions, 55, 56, 66, 79
Multielectron atoms, 231
Mutual orientation, 283, 284, 288, 305, 308,
312, 314, 318
N
Naphthyl-isoquinoline alkaloids, 306, 307,
318, 322, 325
Nitrate-nitric acid-water cluster, 194
Noble-gas atoms, 243, 245, 249, 255, 257, 259
Nuclear and radiative corrections, 71, 72
Nuclear forces, 368, 376
P
Parity violation, 96
Pionic atomic systems, 71, 72, 75
Planck units, 368, 371, 373, 377
Polyborate, 108, 112, 120, 128, 144, 148
Population analysis, 112, 194
Positron annihilation, 243–246, 248, 251–253,
255, 260
Proton transfer, 170, 179–182, 186, 188, 190,
191, 198, 200
Q
Quantum chemistry, 3–8, 16, 72, 260, 383, 402
Quantum electrodynamics, 362, 370
Quantum theory of atoms in molecules, 46
R
Radiation decay processes, 229
Relativistic energy approach, 57, 59, 66, 79,
231, 232
Relativistic perturbation theory, 231, 234
Relativistic quantum chemistry, 72
Rhodium clusters, 213, 224
ROHF calculations, 223
S
Semantic web, 3, 4, 7, 8, 18, 20, 26
Solute-solvent interactions, 283
Space-time, 371, 372, 381, 387–389, 391, 400
Spectroscopy of exotic atoms, 72
Spin momentum, 98, 366
Stochastic communication, 382, 383, 402
Structural indicator, 43, 44, 50, 53
T
Transition metal, 215, 266
Trigger bond, 44–46, 50–53
Trigger Bond Indicators (TBIs), 51, 52
U
Ultracold chemistry, 265, 267
Ultracold collisions, 265
Ultracold molecules, 267, 274
406
Index
F
Fine-structure constant, 361, 367–369, 371,
375, 377
Functional derivative, 332, 335, 343, 346
Functional differentiability, 331, 332
G
General relativity, 370–372, 381, 385, 389
Geometric phase, 265, 266, 268–270, 274, 275
Gravitational invariant, 361, 371, 372, 377, 378
Gyromagnetic factor, 365, 367, 369, 378
H
Helium, 203, 204, 207–210, 253
Homochirality, 95, 96
Hydrogen, 30, 76, 82, 83, 100, 101, 108, 128,
130, 132, 135, 144, 151, 155–158, 164,
165, 169–171, 173, 190, 191, 193, 195,
198, 199, 201, 204, 206–210, 253, 255,
256, 265, 267, 268, 281, 289, 297, 305,
307, 309, 368, 369, 372, 377
Hydrogen bonding, 156, 164, 193, 201, 283,
309
Hylleraas-CI, 29–31, 33, 39
Hylleraas functions, 29, 30, 33
I
Intramolecular hydrogen bond, 283, 305
Ionization potential, 65, 213, 224, 230, 247,
348
J
Jozimine A 2 , 305–307, 310–313, 316, 318,
320, 322, 324, 325
K
Kinetic-energy integrals, 29, 33, 39
L
Light velocity, 235, 365
M
Magnetic moment, 88, 213, 222, 361, 364, 377
Many-body theory, 243, 244, 259, 260
Matter antimatter, 369
Molecular orbital, 119, 149, 204, 213, 215, 306
Multicharged ions, 55, 56, 66, 79
Multielectron atoms, 231
Mutual orientation, 283, 284, 288, 305, 308,
312, 314, 318
N
Naphthyl-isoquinoline alkaloids, 306, 307,
318, 322, 325
Nitrate-nitric acid-water cluster, 194
Noble-gas atoms, 243, 245, 249, 255, 257, 259
Nuclear and radiative corrections, 71, 72
Nuclear forces, 368, 376
P
Parity violation, 96
Pionic atomic systems, 71, 72, 75
Planck units, 368, 371, 373, 377
Polyborate, 108, 112, 120, 128, 144, 148
Population analysis, 112, 194
Positron annihilation, 243–246, 248, 251–253,
255, 260
Proton transfer, 170, 179–182, 186, 188, 190,
191, 198, 200
Q
Quantum chemistry, 3–8, 16, 72, 260, 383, 402
Quantum electrodynamics, 362, 370
Quantum theory of atoms in molecules, 46
R
Radiation decay processes, 229
Relativistic energy approach, 57, 59, 66, 79,
231, 232
Relativistic perturbation theory, 231, 234
Relativistic quantum chemistry, 72
Rhodium clusters, 213, 224
ROHF calculations, 223
S
Semantic web, 3, 4, 7, 8, 18, 20, 26
Solute-solvent interactions, 283
Space-time, 371, 372, 381, 387–389, 391, 400
Spectroscopy of exotic atoms, 72
Spin momentum, 98, 366
Stochastic communication, 382, 383, 402
Structural indicator, 43, 44, 50, 53
T
Transition metal, 215, 266
Trigger bond, 44–46, 50–53
Trigger Bond Indicators (TBIs), 51, 52
U
Ultracold chemistry, 265, 267
Ultracold collisions, 265
Ultracold molecules, 267, 274
406
Index