|
|
 |
| Авторизация |
|
|
|
| Поиск по указателям |
|
|
|
|
|
|
|
 |
|
|
|
| Anderson J.B. — Quantum Monte Carlo: Origins, Development, Applications |
|
|
|
| Предметный указатель |
Nightingale, M.P. 156
Node location error 25 29 33 53 60 66 71 128 130 134
Nodes, nodal surfaces 6 10—12 14 17 18 22 24 25 30 40 52 60 65 66 80 105 115 118 121 134
Noid, D.W. 99
Nuclear structure 3 27 36 58 86 139
Numerical quadrature 7 50 73
Olsen, J. 130
On-the-fly calculations 152
Optimization of trial functions 4 29 33 41 44 55 58 67 68 74 76 80 86 87 92 105 115 122 125 140 141 145 151 153—156
Ore, A. 28
Ornstein — Uhlenbeck functions 150
Ortiz, G. 102
Ossa, E. 14
Owen, R.K. 47
Ozaki, J. 16
Pade functions 55
Paesani, F.S. 149
Pair natural orbitals 126
Pairwise-additive potentials 3 5 21 27 66 68 101 104 144 149 156
Pandharipande, V.R. 27 139
Paolini, S. 144
Parrinello, M. 152
Path integrals 7 26 45 50 52 100 149
Patil, N. 49
Pauli exclusion principle 10 12 112
Pederiva, F. 128
Penev, E. 132
Periodic boundary conditions 5 8 9 45 48 54 69 70 94 102 117 139 142
Perturbation methods 8 57 66 78 93 97 98 102 104 115 145 148
Phase transitions 26 70 76
Pickett, H.M. 11
Pieper, S.C. 27
Plane-wave functions 64 69 72 79 102 131
Polarizabilities 114
Pople, J.A. 134
Proctor, T.R. 20
Proteins 120 129
Pseudoatoms 32 107
Pseudopotentials 43 50 54 56 69 73 79 88 91 94 106 107 110 111 113 114 125 131—135 142 153
Quack, M. 72
Quadrupole interactions 13
Quantum annealing 92
Quantum dots 63 95 128 154
Quantum Monte Carlo, name 20
Radiative effects 71 96 151
Raghavachari, K. 134
Rajagopal, G. 97 102 107
Rama Krishna, M.V. 68
Random walks 1—3 10 12 14—17 19 29 34 35 38 44 45 47 53 61 75 82
Rappe, A.M. 122
Ravenhall, D.E. 139
Rayleigh — Ritz variational method 13
Rayleigh — Schroedinger perturbation theory 78 98
Redmer, R. 142
Relativistic effects 33 43 57 71 91 96 97 102 106 114 119 151
Released node methods 18 30 52 139
Reptation method 117 144 149
Restricted trial functions 31 133 145
Reynolds, P.J. 25 31 33 39 41 43 46 47 56 77 81 133
Rice, S.A. 110
Rick, S.W. 104
Riley, K.E. 31 137
Rosenbluth, A.W. 5
Rosenbluth, M.N. 5
Rotational states 72 83 87 103 118 124 144 147—149 151 156
Rothstein, S.M. 20 47 49 57 87 97 108
Roy, P.-N. 149
Rychlewski, J. 24
Ryckaert, J.-P. 124
Saddle points 14 29 31 53 75 84 127 138 141 154
Salahub, D.R. 60
Sarsa, A. 124 149
Saykally, R.J. 103 118 148
Schaefer, H.F., III 33
Schattke, W. 142
Schautz, F. 114 135 145
Scheffler, M. 132
Schmidt, K.E. 22—24 37 39 47 61 67 75 122 124 149
Schrader, D.M. 88
Schroedinger, E. 1
Schuetz, C.A. 140
Sebenik, C. 92
Sehl, M. 100
Self-consistent field (SCF) method 24 31 33 37 39 51 56 57 66 80 87 112 120 130 132
Semi-empirical methods 100 114 134
Semi-empirical pair potentials 68
Semiconductor crystallites 63
Serial correlation 34 71 105
| Severson, M.W. 118
Shirley, E.L. 73
Shlyakhter, Y. 116
Shoosmith, J. 33
Short-time approximation 24 39 47 65 139
Shukla, A. 106
Sign problem in QMC 6 10 75 133
Singlet-triplet splitting 33 95 113 116 133
Slater, J.C. 89
Smith, V. 96
Sokolova, S. 116
Solvent effects 62
Spectroscopic constants 87 114
Spin contamination 112
Spin eigenfunctions 10 22 31 42 57 70 95 102 106 112 146 154
Spin-orbit interactions 57 106
Spurious nodes 80
Staroverov, V.N. 108
Stenson, C. 92
Stevens, W.J. 94 113
Sticking probability 36
Stoicheff, B.P. 96
Storer, R.G. 7 18 19 49
Stratt, R.M. 62
Stump, D.R. 26
Sugiyama, G. 42 64 133
Suhm, M.A. 72
Sumpter, B.G. 99
Sun, H. 65 80 105
Superfluids 119 149
Surface chemistry 60 62 110 132 135 142
Surface tension 27
Symmetry requirements 11—14 32 41 42 60 65 66 70 83 93 94 112 115 121 128 151 154 157
Symmetry-adapted perturbation theory (SAPT) 148
Szalay, P.G. 153
Tang, K.T. 104
Teller, A.H. 5
Teller, E. 5 66
Test sets 134 155
Thompson, K.C. 147
Time-step error 3 12 19 24 34 44 47 49 52 58 65 75 84 113 124
Toennies, J.P. 104
Tomashima, Y. 16
Toshida, T. 135
Towler, M.D. 146 155
Transcorrelated wavefunctions 23 37
Transition dipole moments 83
Transition states 14 29 31 53 84 127 137 150 153
Traynor, C.A. 3 59 71 75 82 89 90 98
Tunneling splitting 65 148
Tuzun, E. 99
Ulam, S. 2 10 75
Ullmo, D. 154
Umrigar, C.J. 55 85 112 128 154
Unrestricted trial functions 31 133
Upper bounds, variational 9 16 18 24 29 31 50
Valence bond functions 24
van der Waals interactions 66 104 115 156
Van Leeuwen, J.M.J. 76
Vashishta, P. 28 32
Verlet, L. 8
Vibrational frequencies 65 93 101 140
Vibrational states 60 65 72 115 118 120 157
Viel, A. 149
von Neumann, J. 2
Vrbik, J. 47 49 57 87 97
Wang, K.W. 54 69 70
Wannier excitons 63
Watts, R.O. 35 40 45 48 65 93
Weakly interacting systems 26 72 101 114
Wells, B.H. 38
Whaley, K.B. 68 149
Whitlock, P.A. 27 48
Wilkins, J.W. 55
Williamson, A.J. 102 107 131
Wilson, K.G. 55
Wiringa, R.B. 27
Woermer dispersion 148
Wong, C.C.K. 104
Xie, Z. 157
Yasuhara, H. 146
Yiu, C.L. 104
Yoshida, T. 43 51 88 111
Zabolitzky, J.G. 21 27
Zerah, G. 64
Zhang, H. 122
Zhao, M. 110
Zhu, J. 70
|
|
|
| Реклама |
|
|
|
|
|
О проекте