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Авторизация |
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Поиск по указателям |
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Schweizer W. — Numerical quantum dynamics |
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Предметный указатель |
3j-symbol 11 14
Absorption 91
Adam — Bashforth algorithm, 4th order 139
Adam — Moulton algorithm, 4th order 139
Adams — Bashforth algorithm 139
Adams — Moulton algorithm 139
Aitken’s process 59
Alkali atoms 187—188
Alkali atoms, external fields 187
Alkali-like ions 188
Angular coordinates 162
Angular momentum, coupling 10
Angular momentum, SO(4, 2, R) 79
Anharmonic oscillator 182
Anharmonic oscillator, 1st order perturbation 183
Anharmonic oscillator, DVR 183
Anharmonic oscillator, parity 184
Antisymmetrizer 106
Associated Legendre function 10 161 168
Associated Legendredifferential equation 170
Avoided crossing 37 62
Azimuthal symmetry 161
B-splines 232
Bessel function 176
Bessel function, ordinary 176
Bessel function, Rodrigues formula 177
Bessel function, spherical 176
Bias 258
Bohr N. 2
Bohr — Sommerfeld quantization 2
Boor — Cox recursive formula 233
Born — Oppenheimer approximation 46 111
Bound states 6
Boundary condition, Dirichlet 210
Boundary condition, generalized von Neumann 210
Boundary value problem 210
Bra 8
Campbell — Baker — Hausdorff theorem 18
Cayley approximation 17
Cayley method 141
Chaos 35
Chebyshev polynomial 182
Christoffel — Darbaux relation 158
Christoffel — Darboux relation 167
Clebsch — Gordan coefficient 10
Commutator 4
Complex coordinate method 6 250
Complex coordinate rotation 7 164 250
Confluent hypergeometric equation 181
Confluent hypergeometric function 181
Constant of motion 35
Contact potential 2
Continuous states 6
Coordinates, Cartesian 39
Coordinates, cone 45
Coordinates, cylindrical 42
Coordinates, ellipsoidal 44
Coordinates, elliptic 46
Coordinates, elliptic cylindrical 44
Coordinates, hyperspherical 48
Coordinates, Jacobi 48
Coordinates, oblate spheroidal 44
Coordinates, parabolic 42
Coordinates, paraboloidal 44
Coordinates, polar 48
Coordinates, prolate spheroidal 44
Coordinates, semiparabolic 45
Coordinates, semiparabolic cylindrical 44
Coordinates, spherical 40
Coulomb integral 115
Coulomb systems 187
Crank — Nicholson approximation 17
De Broglie L.-V. 1
De Broglie relation 2
Defolded spectrum 38
Degenerate perturbation theory 60
Density functional theory 95 106
Density matrix 21
Density operator 20—21
Dipole strength 193
Direct product basis 160
Dirichlet boundary condition 210
Discrete variable representation 156 159
Discrete variable representation, fixed-node boundary condition 196 198
Discrete variable representation, hermite polynomial 183
Discrete variable representation, Legendre polynomial 189
Discrete variable representation, Legendre polynomial, cylindrical symmetry 191
Discrete variable representation, periodic 196 199
Discrete variable representation, spectroscopic quantities 193
Discrete variable representation, time-dependent systems 195
Discrete variable representation, wave packet propagation 195
DVR 159
Dynamical group 78
Dynamical Lie algebra 78
Dyson series 16
Ehrenfest’s theorem 20
Einstein A. 1
EISPACK 258
Energy-time uncertainty relation 89
Euler angles 11
Euler method, explicit 134
Euler method, implicit 134
Euler methods 134
Euler theorem 109
Exchange integral 115
expectation value 4
FBR 159
Fermion problem 125
Fermi’s Golden Rule 90
Feynman path integral 126
Finite basis representation 156 159
Finite differences, bound states 146
Finite differences, bound states, Poschl — Teller potential 147
Finite differences, Hamiltonian action 140
Finite differences, propagation 140
Finite differences, propagation, potential wall 146
Finite element matrix, dimension 227
Finite element matrix, non-vanishing elements 227
Finite elements 209 211
Finite elements, adaptive methods 230
Finite elements, error 230
Finite elements, rectangular 235
Finite elements, selfadaptive methods 230
Finite elements, splines 232
Finite elements, triangular 235
Finite elements, triangular, local coordinates 235
Finite elements, two-dimensional 235
Fixed-node method 125
Fractional charge 43
Free electron, magnetic field 203
Galerkin principle 212
Gauss quadrature 167
Gauss theorem 181
Gauss — Chebyshev quadrature, 1st kind 199
Gauss — Chebyshev quadrature, 2nd kind 198
Gauss — Symplectic — Ensemble 68
Gauss — Unitary — Ensemble 68
Gaussian orthogonal ensemble 68
Gear algorithm 139
Gegenbauer polynomials 177
Gegenbauer polynomials, generating function 177
Gegenbauer polynomials, Rodrigues formula 178
Generalized Laguerre polynomial 171
Generating function 167
Guiding function 124
Hahn polynomials 180
Hamiltonian 6
harmonic oscillator 182
Hartree equation 105
Hartree — Fock equation 106
| Hartree — Fock method 95 104
Heisenberg uncertainty 89
Heisenberg uncertainty relation 4
Hellman — Feynman theorem 109
Hermite interpolation polynomial 220
Hermite interpolation polynomial, extended 222
Hermite mesh 200
Hermite polynomial 174
Hermite polynomial, finite elements 215
Hermite polynomial, generating function 174
Hermite polynomial, Jacobi matrix 175
Hermite polynomial, parity 175
Hermite polynomial, Rodrigues formula 174
Homogeneous function 108
Husimi function 23
Hydrogen atom, electric field 43
Hydrogen atom, external fields 62
Hydrogen atom, extremely strong magnetic field 203
Hydrogen atom, finite elements, two-dimensional 244
Hydrogen atom, strong external fields 187
Hydrogen eigenstates, boson representation 79
Hydrogen molecule-ion 46
Hylleraas ansatz, helium 99
Hypergeometric functions 180
Hypergeometric series 180
Hypervinaltheorem 111
IMSL 257
Inner product 8
Integrability 35
Interpolation polynomial, degree of freedom 227
Interpolation polynomial, two-dimensional, cubic 239
Interpolation polynomial, two-dimensional, linear 237
Interpolation polynomial, two-dimensional, quadratic 238
Interpolation polynomial, two-dimensional, quartic 241
Interpolation polynomial, two-dimensional, quintic 240
Jacobi matrix 167
Jacobi polynomial 14 181
Jacobi polynomial, generating function 182
Kepler problem 49
Ket 8
Kicked systems 141
Kohn — Sham equations 107
Krylov space 103
Kustaanheimo — Stiefel coordinates 51—52
Kustaanheimo — Stiefel transformation 51—52
l/N-shift expansion 70
Lagrange interpolation polynomial 217
Lagrange interpolation polynomial, linear equations 218
Lagrange interpolation polynomial, n-th order 218
Laguerre mesh 200—201
Laguerre mesh, modified 202
Laguerre polynomial 171 175
Laguerre polynomial, finite elements 215
Laguerre polynomial, generalized 171
Laguerre polynomial, generating function 172
Laguerre polynomial, Jacobi matrix 172
Laguerre polynomial, Rodrigues formula 171
Lanczos method 101
Lanczos method, algorithm 102
Lanczos method, spectrum transformation 101
Lanczos, software 259
Landau function 203
LAPACK 258
Laplace — Beltrami operator 39
Laplace — Beltrami operator, cylindrical coordinates 42
Laplace — Beltrami operator, elliptic coordinates 47
Laplace — Beltrami operator, parabolic coordinates 42
Laplace — Beltrami operator, polar coordinates 51
Laplace — Beltrami operator, semiparabolic coordinate 45
Laplace — Beltrami operator, spherical coordinates 40
LDA 107
Leap-frog algorithm 135
Legendre differential equation 170
Legendre function, associated 168
Legendre function, parity 171
Legendre polynomial 168 187
Legendre polynomial, generating function 171
Legendre polynomial, Jacobi matrix 170
Legendre polynomial, Rodrigues formula 168
Legendre polynomials 161
Level repulsion 37
Lie algebra, dynamical 78
Lie algebra, spectral generating 78
Liouville equation 22
Local basis 213
Local basis, local matrices 225
Local density approximation 107
Maple 256
Mathematica 257
MATLAB 256
Mesh calculation 200
Mesh, Laguerre 200
Metropolis algorithm 121
Model potentials 188
Monte Carlo method 118
Monte Carlo method, important sampling 121 124
Monte Carlo method, quantum 118
Monte Carlo method, quantum, diffusion 123
Monte Carlo method, quantum, guiding function 124
Monte Carlo method, quantum, path integral 128
Monte Carlo method, quantum, variational 122
Moyal brackets 24
Muller method 179
Murphy equation 170
N-particle systems 48
NAG 257
Nearest neighbor distribution 37 65
Neumann series 16
Newton’s method 179
Noether’s theorem 36
Non-integrable systems 35
Numerov integration 164
Numerov method 150—151
Numerov method, eigenvalue problem 151
Ordinary Bessel function 176
Orthogonal polynomials 165
Orthogonal polynomials, three-term recurrence relation 166
Orthogonal polynomials, zeros 166
Orthonormal polynomials 165
Oscillator strength 193
Oscillator, anharmonic 182
Oscillator, harmonic 182
Partial differential equation, elliptic 3
Partial differential equation, hyperbolic 3
Partial differential equation, parabolic 3
Particle-in-boxeigenfunction 198
Perturbation theory 55
Perturbation theory, degenerate 60
Perturbation theory, Rayleigh — Schrodinger 56
Perturbation theory, two-fold degenerate 61
Phase space 35
photoelectric effect 2
Photoelectron 2
photons 2
Planck constant 2
Planck M. 1
Planck — Einstein relations 2
Pochhammer symbol 180
Poisson bracket 35
Poisson distribution 38 65 120
Polar coordinate 51
Polarization 194
Polarization, 194
Polarization, 194
Polarization, 194
Pollaczek polynomials 180
Poschl — Teller potential 147
Predictor-corrector method 139
Probability conservation 5
Probability current density 5
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