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Schweizer W. — Numerical quantum dynamics
Schweizer W. — Numerical quantum dynamics



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Название: Numerical quantum dynamics

Автор: Schweizer W.

Аннотация:

This book describes computational methods used in quantum dynamics with emphasis on small quantum systems. Computational physics is a fundamental physical discipline at the forefront of physical research. Thus it is an indisputable fact that computational physics form part of the essential landscape of physical science and education. In the present state of scientific knowledge the importance of quantum dynamics is commonplace. Computational quantum dynamics involves the use of computer calculations and simulations to solve quantum physical problems. Following a brief introduction to quantum dynamics the book revisits approximation techniques based on perturbational theory and variationalmethods. This discussion includes Hartree-Fock and density functional theory and quantum Monte Carlo methods. The next chapter presents the concepts of finite differences. Central in this chapter is the discretization in time and space. Later chapters concentrate on discrete variable techniques based on orthogonal polynomials, finite element and B-splinemethods for both time-independent and time-dependent problems and the combination of different computational techniques. The final chapter contains a list of useful sources for computational software and program codes. This book is primarily aimed at advanced students and graduates and researchers in theoretical and computational physics or chemistry and bridges the gap between quantum textbooks and computational research. Although not essential, the reader should have a basic background in quantum physics and some knowledge of numerical analysis would be helpful in reading this book.


Язык: en

Рубрика: Математика/Численные методы/Численный анализ/

Статус предметного указателя: Готов указатель с номерами страниц

ed2k: ed2k stats

Год издания: 2002

Количество страниц: 267

Добавлена в каталог: 21.02.2005

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Предметный указатель
probability density      4
probability distribution      120
QR-decomposition      103 178
Quadratic Stark effect      69
Quantum force      124
Quantum integrability      36
Quantum Monte Carlo      95 118
Quantum number, good      36
Quantum potential      25
Quasibound state      6
Random number      119
Random number, quasi      120
Rayleigh — Ritz variational principle      96
Rayleigh — Schrodinger perturbation theory      56
Regge symbol      11
Regge symbols      194
Released-node method      125
Resonance      6
Ritz variational principle      210
Ritz — Galerkin principle      212
Rodrigues formula      167
Romberg integration      119
Runge — Kutta algorithm      135
Runge — Kutta — Fehlberg algorithm      137
Runge — Lenz operator      79
Scalar product      8
Schrodinger equation      2
Schrodinger equation, radial      41
Schrodinger equation, time-dependent      3
Schrodinger equation, time-independent      5
Schwinger’s action principle      126
Secant method      179
Self-consistent field      105
Self-consistent potential      105
Separability, Cartesian coordinates      39
Separability, cylindrical coordinates      42
Separability, elliptic coordinates      47
Separability, parabolic coordinates      42
Separability, semiparabolic coordinates      45
Separability, spherical coordinates      40
Separation of variables      35
Simulink      256
Slater determinant      106
Softare, netlib      255
Software, arpack      259
Software, axiom      257
Software, bell-labs      259
Software, bias      258
Software, cern      259
Software, derive      257
Software, differential equations      259
Software, eigenvalue problems      258
Software, eispack      258
Software, elib      256
Software, femlab      256
Software, FFT      258
Software, fftpack      258
Software, fishpack      258
Software, gams      255
Software, google      256
Software, Helmholtz equation      258
Software, homepack      258
Software, imsl      257
Software, itpack      258
Software, lanczos      259
Software, lapack      258
Software, Laplace equation      258
Software, macsyma      257
Software, maple      256
Software, math-net      256
Software, mathcad      257
Software, mathematica      257
Software, matlab      256
Software, minpack      258
Software, mupad      257
Software, nag      257
Software, numerical recipes      257
Software, octave      259
Software, odepack      259
Software, odrpack      259
Software, paw      259
Software, Poisson equation      258
Software, port      259
Software, quadpack      259
Software, simulink      256
Software, Unpack      258
Solver, explicit      133
Solver, implicit      133
Solver, multi-step      133
Solver, single-step      133
Spectral generating group      78
Spectral representation      156—157 159
Spherical Bessel function      176
Spherical coordinates      161
Spherical harmonics      10 161
Spin      10
Splines      232
Stark effect      43 68
Stark effect, quadratic      69
Stimulated emission      91
Sum rule      69
Symmetry group      78
Time discretization      141
Time discretization, pulse      141
Time evolution operator      15
Time propagator      15
Transformation, active      11
Transformation, passive      11
Transition group      78
Transition probability      87—88 193
Trapezoidal rule      118
Trotter number      129
Ultraspherical polynomials      177
Uncertainty relation      4
Uncertainty relation, energy time      89
Variance      4
Variation basis representation      156—157
Variational method, diagonalization      100
Variational method, harmonic oscillator      97
Variational method, helium ground state      98
Variational Principle      95
Variational principle, Rayleigh — Ritz      96
Verlet algorithm      135
Virial theorem      108 111 117
Virial theorem, molecules      113
Virial theorem, variational ansatz      117
Von Neumann boundary condition      210
Von Neumann boundary condition, generalized      210
Von Neumann equation      21—22
Walker      121
Wave packet propagation      195
Weight function      120 165
Weight function, moment      165
Weyl transformation      23
Wigner distribution      38
Wigner function      20 22 68
Wigner rotation function      13
Wigner — Seitz radius      108
WKB approximation      24
WKB approximation, momentum space      26
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