Schrödinger equation in the context of "Quantum harmonic oscillator"

In quantum physics, a wave function (or wavefunction) is a mathematical description of the quantum state of an isolated quantum system. The most common symbols for a wave function are the Greek letters ψ and Ψ (lower-case and capital psi, respectively).

According to the superposition principle of quantum mechanics, wave functions can be added together and multiplied by complex numbers to form new wave functions and form a Hilbert space. The inner product of two wave functions is a measure of the overlap between the corresponding physical states and is used in the foundational probabilistic interpretation of quantum mechanics, the Born rule, relating transition probabilities to inner products. The Schrödinger equation determines how wave functions evolve over time, and a wave function behaves qualitatively like other waves, such as water waves or waves on a string, because the Schrödinger equation is mathematically a type of wave equation. This explains the name "wave function", and gives rise to wave–particle duality. However, whether the wave function in quantum mechanics describes a kind of physical phenomenon is still open to different interpretations, fundamentally differentiating it from classic mechanical waves.

Mathematical physics is the development of mathematical methods for application to problems in physics. The Journal of Mathematical Physics defines the field as "the application of mathematics to problems in physics and the development of mathematical methods suitable for such applications and for the formulation of physical theories". An alternative definition would also include those mathematics that are inspired by physics, known as physical mathematics.

Erwin Rudolf Josef Alexander Schrödinger (/ˈʃroʊdɪŋər/ SHROH-ding-er, German: [ˈʃʁøːdɪŋɐ] ; 12 August 1887 – 4 January 1961), sometimes written as Schroedinger or Schrodinger, was an Austrian–Irish theoretical physicist who developed fundamental results in quantum theory. In particular, he is recognized for devising the Schrödinger equation, an equation that provides a way to calculate the wave function of a system and how it changes dynamically in time. He coined the term "quantum entanglement" in 1935.

In addition, Schrödinger wrote many works on various aspects of physics: statistical mechanics and thermodynamics, physics of dielectrics, color theory, electrodynamics, general relativity, and cosmology, and he made several attempts to construct a unified field theory. In his book, What Is Life?, Schrödinger addressed the problems of genetics, looking at the phenomenon of life from the point of view of physics. He also paid great attention to the philosophical aspects of science, ancient, and oriental philosophical concepts, ethics, and religion. He also wrote on philosophy and theoretical biology. In popular culture, he is best known for his "Schrödinger's cat" thought experiment.

In physics, quantum tunnelling, barrier penetration, or simply tunnelling is a quantum mechanical phenomenon in which an object such as an electron or atom passes through a potential energy barrier that, according to classical mechanics, should not be passable due to the object not having sufficient energy to pass or surmount the barrier.

Tunnelling is a consequence of the wave nature of matter and quantum indeterminacy. The quantum wave function describes the states of a particle or other physical system and wave equations such as the Schrödinger equation describe their evolution. In a system with a short, narrow potential barrier, a small part of wavefunction can appear outside of the barrier representing a probability for tunnelling through the barrier.

In chemistry, a molecular orbital is a mathematical function describing the location and wave-like behavior of an electron in a molecule. This function can be used to calculate chemical and physical properties such as the probability of finding an electron in any specific region. The terms atomic orbital and molecular orbital were introduced by Robert S. Mulliken in 1932 to mean one-electron orbital wave functions. At an elementary level, they are used to describe the region of space in which a function has a significant amplitude.

In an isolated atom, the orbital electrons' location is determined by functions called atomic orbitals. When multiple atoms combine chemically into a molecule by forming a valence chemical bond, the electrons' locations are determined by the molecule as a whole, so the atomic orbitals combine to form molecular orbitals. The electrons from the constituent atoms occupy the molecular orbitals. Mathematically, molecular orbitals are an approximate solution to the Schrödinger equation for the electrons in the field of the molecule's atomic nuclei. They are usually constructed by combining atomic orbitals or hybrid orbitals from each atom of the molecule, or other molecular orbitals from groups of atoms. They can be quantitatively calculated using the Hartree–Fock or self-consistent field (SCF) methods.

Quantum superposition is a fundamental principle of quantum mechanics that states that linear combinations of solutions to the Schrödinger equation are also solutions of the Schrödinger equation. This follows from the fact that the Schrödinger equation is a linear differential equation in time and position. More precisely, the state of a system is given by a linear combination of all the eigenfunctions of the Schrödinger equation governing that system.

An example is a qubit used in quantum information processing. A qubit state is most generally a superposition of the basis states ${\displaystyle |0\rangle }$ and ${\displaystyle |1\rangle }$:

In vibrational spectroscopy, an overtone band is the spectral band that occurs in a vibrational spectrum of a molecule when the molecule makes a transition from the ground state (v=0) to the second excited state (v=2), where v is the vibrational quantum number (a non-negative integer) obtained from solving the Schrödinger equation for the molecule.

Generally, in order to study the vibrational spectra of molecules, chemical bond vibrations are assumed to be approximable as simple harmonic oscillators. Thus a quadratic potential is used in the Schrödinger equation to solve for the vibrational energy eigenstates and their eigenvalues.These energy states are quantized, meaning they can assume only some "discrete" values of energy. When electromagnetic radiation is shined on a sample, the molecules can absorb energy from the radiation and change their vibrational energy state. However, the molecules can absorb energy from radiation only under certain condition, namely- there should be a change in the electric dipole moment of the molecule when it is vibrating. This change in the electric dipole moment of the molecule leads to the transition dipole moment of the molecule, for transition from the lower to higher energy state, being non-zero which is an essential condition for any transition to take place in the vibrational state of the molecule (due to selection rules).