Chemical bonding in the context of Wavefunction

An electric field (sometimes called E-field) is a physical field that surrounds electrically charged particles such as electrons. In classical electromagnetism, the electric field of a single charge (or group of charges) describes their capacity to exert attractive or repulsive forces on another charged object. Charged particles exert attractive forces on each other when the sign of their charges are opposite, one being positive while the other is negative, and repel each other when the signs of the charges are the same. Because these forces are exerted mutually, two charges must be present for the forces to take place. These forces are described by Coulomb's law, which says that the greater the magnitude of the charges, the greater the force, and the greater the distance between them, the weaker the force. Informally, the greater the charge of an object, the stronger its electric field. Similarly, an electric field is stronger nearer charged objects and weaker further away. Electric fields originate from electric charges and time-varying electric currents. Electric fields and magnetic fields are both manifestations of the electromagnetic field. Electromagnetism is one of the four fundamental interactions of nature.

Electric fields are important in many areas of physics, and are exploited in electrical technology. For example, in atomic physics and chemistry, the interaction in the electric field between the atomic nucleus and electrons is the force that holds these particles together in atoms. Similarly, the interaction in the electric field between atoms is the force responsible for chemical bonding that result in molecules.

Baron Jöns Jacob Berzelius (Swedish: [jœns ˈjɑ̌ːkɔb bæˈʂěːlɪɵs]; 20 August 1779 – 7 August 1848) was a Swedish chemist. Berzelius is considered, along with Robert Boyle, John Dalton, and Antoine Lavoisier, to be one of the founders of modern chemistry. Berzelius became a member of the Royal Swedish Academy of Sciences in 1808 and served from 1818 as its principal functionary. He is known in Sweden as the "Father of Swedish Chemistry". During his lifetime he did not customarily use his first given name, and was universally known simply as Jacob Berzelius.

Although Berzelius began his career as a physician, his enduring contributions were in the fields of electrochemistry, chemical bonding and stoichiometry. In particular, he is noted for his determination of atomic weights and his experiments that led to a more complete understanding of the principles of stoichiometry, which is the branch of chemistry pertaining to the quantitative relationships between elements in chemical compounds and chemical reactions and that these occur in definite proportions. This understanding came to be known as the "Law of Constant Proportions".

In chemistry, a lone pair refers to a pair of valence electrons that are not shared with another atom in a covalent bond and is sometimes called an unshared pair or non-bonding pair. Lone pairs are found in the outermost electron shell of atoms. They can be identified by using a Lewis structure. Electron pairs are therefore considered lone pairs if two electrons are paired but are not used in chemical bonding. Thus, the number of electrons in lone pairs plus the number of electrons in bonds equals the number of valence electrons around an atom.

Lone pair is a concept used in valence shell electron pair repulsion theory (VSEPR theory) which explains the shapes of molecules. They are also referred to in the chemistry of Lewis acids and bases. However, not all non-bonding pairs of electrons are considered by chemists to be lone pairs. Examples are the transition metals where the non-bonding pairs do not influence molecular geometry and are said to be stereochemically inactive. In molecular orbital theory (fully delocalized canonical orbitals or localized in some form), the concept of a lone pair is less distinct, as the correspondence between an orbital and components of a Lewis structure is often not straightforward. Nevertheless, occupied non-bonding orbitals (or orbitals of mostly nonbonding character) are frequently identified as lone pairs.

Theoretical chemistry is the branch of chemistry which develops theoretical generalizations that are part of the theoretical arsenal of modern chemistry: for example, the concepts of chemical bonding, chemical reaction, valence, the surface of potential energy, molecular orbitals, orbital interactions, and molecule activation.

A linear combination of atomic orbitals or LCAO is a quantum superposition of atomic orbitals and a technique for calculating molecular orbitals in quantum chemistry. In quantum mechanics, electron configurations of atoms are described as wavefunctions. In a mathematical sense, these wave functions are the basis set of functions, the basis functions, which describe the electrons of a given atom. In chemical reactions, orbital wavefunctions are modified, i.e. the electron cloud shape is changed, according to the type of atoms participating in the chemical bond.

It was introduced in 1929 by Sir John Lennard-Jones with the description of bonding in the diatomic molecules of the first main row of the periodic table, but had been used earlier by Linus Pauling for H₂.

A molecular orbital diagram, or MO diagram, is a qualitative descriptive tool explaining chemical bonding in molecules in terms of molecular orbital theory in general and the linear combination of atomic orbitals (LCAO) method in particular. A fundamental principle of these theories is that as atoms bond to form molecules, a certain number of atomic orbitals combine to form the same number of molecular orbitals, although the electrons involved may be redistributed among the orbitals. This tool is very well suited for simple diatomic molecules such as dihydrogen, dioxygen, and carbon monoxide but becomes more complex when discussing even comparatively simple polyatomic molecules, such as methane. MO diagrams can explain why some molecules exist and others do not. They can also predict bond strength, as well as the electronic transitions that can take place.