Computational Quantum Mechanics

Beschreibung

Quantum mechanics undergraduate courses mostly focus on systems with known analytical solutions; the finite well, simple Harmonic, and spherical potentials. However, most problems in quantum mechanics cannot be solved analytically. This textbook introduces the numerical techniques required to tackle problems in quantum mechanics, providing numerous examples en route. No programming knowledge is required – an introduction to both Fortran and Python is included, with code examples throughout. With a hands-on approach, numerical techniques covered in this book include differentiation and integration, ordinary and differential equations, linear algebra, and the Fourier transform. By completion of this book, the reader will be armed to solve the Schrödinger equation for arbitrarily complex potentials, and for single and multi-electron systems.
Quantum mechanics undergraduate courses mostly focus on systems with known analytical solutions; the finite well, simple Harmonic, and spherical potentials. However, most problems in quantum mechanics cannot be solved analytically.  This textbook introduces the numerical techniques required to tackle problems in quantum mechanics, providing numerous examples en route. No programming knowledge is required – an introduction to both Fortran and Python is included, with code examples throughout.  With a hands-on approach, numerical techniques covered in this book include differentiation and integration, ordinary and differential equations, linear algebra, and the Fourier transform. By completion of this book, the reader will be armed to solve the Schrödinger equation for arbitrarily complex potentials, and for single and multi-electron systems.
Teaches the basis of modern scientific programming – no prior experience required Explains how to solve the Schrodinger equation with numerous hands-on examples Allows you to choose between Fortran or Python (or use both!), with code in both languages provided

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Joshua Izaac

Themen in »Computational Quantum Mechanics«

Numerical methods in quantum mechanics Solving the Helium atom Python for quantum mechanics Fortran for quantum mechanics Hartree-Fock method Time-dependent Schrödinger equation Solving Schrödinger equation Numerov-Cooley method Runge-Kutta Schrödinger equation Chebyshev expansion Schrödinger equation Multi-electron systems Problems in quantum mechanics

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