Quantum chemistry in the context of Scanning probe microscopy

Physics is the scientific study of matter, its fundamental constituents, its motion and behavior through space and time, and the related entities of energy and force. It is one of the most fundamental scientific disciplines. A scientist who specializes in the field of physics is called a physicist.

Physics is one of the oldest academic disciplines. Over much of the past two millennia, physics, chemistry, biology, and certain branches of mathematics were a part of natural philosophy, but during the Scientific Revolution in the 17th century, these natural sciences branched into separate research endeavors. Physics intersects with many interdisciplinary areas of research, such as biophysics and quantum chemistry, and the boundaries of physics are not rigidly defined. New ideas in physics often explain the fundamental mechanisms studied by other sciences and suggest new avenues of research in these and other academic disciplines such as mathematics and philosophy.

Quantum optics is a branch of atomic, molecular, and optical physics and quantum chemistry that studies the behavior of photons (individual quanta of light). It includes the study of the particle-like properties of photons and their interaction with, for instance, atoms and molecules. Photons have been used to test many of the counter-intuitive predictions of quantum mechanics, such as entanglement and teleportation, and are a useful resource for quantum information processing.

The photoelectric effect is the emission of electrons from a material caused by electromagnetic radiation such as ultraviolet light. Electrons emitted in this manner are called photoelectrons. The phenomenon is studied in condensed matter physics, solid state, and quantum chemistry to draw inferences about the properties of atoms, molecules and solids. The effect has found use in electronic devices specialized for light detection and precisely timed electron emission.

The experimental results disagree with classical electromagnetism, which predicts that continuous light waves transfer energy to electrons, which would then be emitted when they accumulate enough energy. An alteration in the intensity of light would theoretically change the kinetic energy of the emitted electrons, with sufficiently dim light resulting in a delayed emission. The experimental results instead show that electrons are dislodged only when the light exceeds a certain frequency—regardless of the light's intensity or duration of exposure. Because a low-frequency beam at a high intensity does not build up the energy required to produce photoelectrons, as would be the case if light's energy accumulated over time from a continuous wave, Albert Einstein proposed that a beam of light is not a wave propagating through space, but discrete energy packets, which were later popularised as photons by Gilbert N. Lewis.

Quantum mechanics is the fundamental physical theory that describes the behavior of matter and of light; its unusual characteristics typically occur at and below the scale of atoms. It is the foundation of all quantum physics, which includes quantum chemistry, quantum biology, quantum field theory, quantum technology, and quantum information science.

Quantum mechanics can describe many systems that classical physics cannot. Classical physics can describe many aspects of nature at an ordinary (macroscopic and (optical) microscopic) scale, but is not sufficient for describing them at very small submicroscopic (atomic and subatomic) scales. Classical mechanics can be derived from quantum mechanics as an approximation that is valid at ordinary scales.

Physical chemistry is the study of macroscopic and microscopic phenomena in chemical systems in terms of the principles, practices, and concepts of physics such as motion, energy, force, time, thermodynamics, quantum chemistry, statistical mechanics, analytical dynamics and chemical equilibria.

Physical chemistry, in contrast to chemical physics, is predominantly (but not always) a supra-molecular science, as the majority of the principles on which it was founded relate to the bulk rather than the molecular or atomic structure alone (for example, chemical equilibrium and colloids).

Linus Carl Pauling FRS (/ˈpɔːlɪŋ/ PAW-ling; February 28, 1901 – August 19, 1994) was an American chemist and peace activist. He published more than 1,200 papers and books, of which about 850 dealt with scientific topics. New Scientist called him one of the 20 greatest scientists of all time. For his scientific work, Pauling was awarded the Nobel Prize in Chemistry in 1954. For his peace activism, he was awarded the Nobel Peace Prize in 1962. He is one of five people to have won more than one Nobel Prize. Of these, he is the only person to have been awarded two unshared Nobel Prizes, and one of two people to be awarded Nobel Prizes in different fields, the other being Marie Skłodowska-Curie.

Pauling was one of the founders of the fields of quantum chemistry and molecular biology. His contributions to the theory of the chemical bond include the concept of orbital hybridisation and the first accurate scale of electronegativities of the elements. Pauling also worked on the structures of biological molecules, and showed the importance of the alpha helix and beta sheet in protein secondary structure. Pauling's approach combined methods and results from X-ray crystallography, molecular model building, and quantum chemistry. His discoveries inspired the work of Rosalind Franklin, James Watson, Francis Crick, and Maurice Wilkins on the structure of DNA, which in turn made it possible for geneticists to crack the DNA code of all organisms.

Relativistic quantum chemistry combines relativistic mechanics with quantum chemistry to calculate elemental properties and structure, especially for the heavier elements of the periodic table. A prominent example is an explanation for the color of gold: due to relativistic effects, it is not silvery like most other metals.

The term relativistic effects was developed in light of the history of quantum mechanics. Initially, quantum mechanics was developed without considering the theory of relativity. Relativistic effects are those discrepancies between values calculated by models that consider relativity and those that do not. Relativistic effects are important for heavier elements with high atomic numbers, such as lanthanides and actinides.

In atomic physics and quantum chemistry, the electron configuration is the distribution of electrons of an atom or molecule (or other physical structure) in atomic or molecular orbitals. For example, the electron configuration of the neon atom is 1s 2s 2p, meaning that the 1s, 2s, and 2p subshells are occupied by two, two, and six electrons, respectively.

Electronic configurations describe each electron as moving independently in an orbital, in an average field created by the nuclei and all the other electrons. Mathematically, configurations are described by Slater determinants or configuration state functions.

Angela Dorothea Merkel (German pronunciation: [aŋˈɡeːla doʁoˈteːa ˈmɛʁkl̩] ; née Kasner; born 17 July 1954) is a German retired politician who served as Chancellor of Germany from 2005 to 2021. She is the only woman to have held the office and the only from former East Germany. She was Leader of the Opposition from 2002 to 2005 and Leader of the Christian Democratic Union (CDU) from 2000 to 2018.

Merkel was born in Hamburg in West Germany. Her family moved to East Germany when she was an infant. A member of the communist East German Free German Youth (FDJ), Merkel obtained a doctorate in quantum chemistry in 1986 and worked as a research scientist until 1989. She then entered politics in the wake of the Revolutions of 1989, briefly serving as deputy spokeswoman for the first democratically elected government of East Germany, led by Lothar de Maizière. Following German reunification in 1990, Merkel was elected to the Bundestag for the state of Mecklenburg-Vorpommern. As the protégée of Chancellor Helmut Kohl, Merkel was appointed as Minister for Women and Youth in 1991, later becoming Minister for the Environment, Nature Conservation and Nuclear Safety in 1994. After the CDU lost the 1998 federal election, Merkel was elected general secretary of the party. She then became the party's first female leader, and the first female leader of the Opposition, two years later.

Mathematical chemistry is the area of research engaged in novel applications of mathematics to chemistry; it concerns itself principally with the mathematical modeling of chemical phenomena. Mathematical chemistry has also sometimes been called computer chemistry, but should not be confused with computational chemistry.

Major areas of research in mathematical chemistry include chemical graph theory, which deals with topology such as the mathematical study of isomerism and the development of topological descriptors or indices which find application in quantitative structure-property relationships; and chemical aspects of group theory, which finds applications in stereochemistry and quantum chemistry. Another important area is molecular knot theory and circuit topology that describe the topology of folded linear molecules such as proteins and nucleic acids.

Molecular modelling encompasses all methods, theoretical and computational, used to model or mimic the behaviour of molecules. The methods are used in the fields of computational chemistry, drug design, computational biology and materials science to study molecular systems ranging from small chemical systems to large biological molecules and material assemblies. The simplest calculations can be performed by hand, but inevitably computers are required to perform molecular modelling of any reasonably sized system. The common feature of molecular modelling methods is the atomistic level description of the molecular systems. This may include treating atoms as the smallest individual unit (a molecular mechanics approach), or explicitly modelling protons and neutrons with its quarks, anti-quarks and gluons and electrons with its photons (a quantum chemistry approach).