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Lecture

Dirac Notation and TDSE Solutions

In course

CH-453: Molecular quantum dynamics

The course covers several exact, approximate, and numerical methods to solve the time-dependent molecular Schrödinger equation, and applications including calculations of molecular electronic spectra. More advanced topics include introduction to the semicl ...

Description

This lecture covers the review of Dirac notation, observable operators, and their effects on wave functions in position and momentum representations. It also discusses the exact solutions of the Time-Dependent Schrödinger Equation (TDSE) using basis sets and time-independent Hamiltonians.

Instructor

Jiri Vanicek

Official source

Ontological neighbourhood

Physics

Quantum mechanics: Mathematical formulation of quantum mechanics

Related concepts (32)

Position operator

In quantum mechanics, the position operator is the operator that corresponds to the position observable of a particle. When the position operator is considered with a wide enough domain (e.g. the space of tempered distributions), its eigenvalues are the possible position vectors of the particle. In one dimension, if by the symbol we denote the unitary eigenvector of the position operator corresponding to the eigenvalue , then, represents the state of the particle in which we know with certainty to find the particle itself at position .

Observable

In physics, an observable is a physical property or physical quantity that can be measured. Examples include position and momentum. In systems governed by classical mechanics, it is a real-valued "function" on the set of all possible system states. In quantum physics, it is an operator, or gauge, where the property of the quantum state can be determined by some sequence of operations. For example, these operations might involve submitting the system to various electromagnetic fields and eventually reading a value.

Wave function

In quantum physics, a wave function (or wavefunction), represented by the Greek letter Ψ, is a mathematical description of the quantum state of an isolated quantum system. In the Copenhagen interpretation of quantum mechanics, the wave function is a complex-valued probability amplitude; the probabilities for the possible results of the measurements made on a measured system can be derived from the wave function. The most common symbols for a wave function are the Greek letters ψ and Ψ (lower-case and capital psi, respectively).

Momentum operator

In quantum mechanics, the momentum operator is the operator associated with the linear momentum. The momentum operator is, in the position representation, an example of a differential operator. For the case of one particle in one spatial dimension, the definition is: where ħ is Planck's reduced constant, i the imaginary unit, x is the spatial coordinate, and a partial derivative (denoted by ) is used instead of a total derivative (d/dx) since the wave function is also a function of time. The "hat" indicates an operator.

Angular momentum operator

In quantum mechanics, the angular momentum operator is one of several related operators analogous to classical angular momentum. The angular momentum operator plays a central role in the theory of atomic and molecular physics and other quantum problems involving rotational symmetry. Such an operator is applied to a mathematical representation of the physical state of a system and yields an angular momentum value if the state has a definite value for it.

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