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For example, the ground state of the nitrogen atom has the electron configuration 1s 2 2s 2 2p 3, and is identified by the term symbol 4 S o, where the superscript o denotes odd parity. However the third excited term at about 83,300 cm −1 above the ground state has electron configuration 1s 2 2s 2 2p 2 3s has even parity since there are only ...
The 10-cm Atom Probe, invented in 1973 by J. A. Panitz [9] was a “new and simple atom probe which permits rapid, in depth species identification or the more usual atom-by atom analysis provided by its predecessors ... in an instrument having a volume of less than two liters in which tip movement is unnecessary and the problems of evaporation ...
The simplest form of coarse-graining is the united atom (sometimes called extended atom) and was used in most early MD simulations of proteins, lipids, and nucleic acids. For example, instead of treating all four atoms of a CH 3 methyl group explicitly (or all three atoms of CH 2 methylene group), one represents the whole group with one pseudo ...
The use of Gaussian orbitals in electronic structure theory (instead of the more physical Slater-type orbitals) was first proposed by Boys [2] in 1950. The principal reason for the use of Gaussian basis functions in molecular quantum chemical calculations is the 'Gaussian Product Theorem', which guarantees that the product of two GTOs centered on two different atoms is a finite sum of ...
If an atom has more electrons than protons, then it has an overall negative charge and is called a negative ion (or anion). Conversely, if it has more protons than electrons, it has a positive charge and is called a positive ion (or cation). The electrons of an atom are attracted to the protons in an atomic nucleus by the electromagnetic force.
In atomic physics, hyperfine structure is defined by small shifts in otherwise degenerate electronic energy levels and the resulting splittings in those electronic energy levels of atoms, molecules, and ions, due to electromagnetic multipole interaction between the nucleus and electron clouds.
Moreover, the Adiabatic Gate prevents the problem of spurious phase accumulation when the atom is in Rydberg state. In the Adiabatic Gate, instead of doing fast pulses, we dress the atom with an adiabatic pulse sequence that takes the atom on a trajectory around the Bloch sphere and back. The levels pick up a phase on this trip due to the so ...
A crystallographic database is a database specifically designed to store information about the structure of molecules and crystals.Crystals are solids having, in all three dimensions of space, a regularly repeating arrangement of atoms, ions, or molecules.