Communication

8 relations: Bloch wave, Born–Oppenheimer approximation, Copyleft, Electronic structure, GNU General Public License, Molecular dynamics, Package manager, Projector augmented wave method.

Bloch wave

A Bloch wave (also called Bloch state or Bloch function or Bloch wavefunction), named after Swiss physicist Felix Bloch, is a type of wavefunction for a particle in a periodically-repeating environment, most commonly an electron in a crystal.

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Born–Oppenheimer approximation

In quantum chemistry and molecular physics, the Born–Oppenheimer (BO) approximation is the assumption that the motion of atomic nuclei and electrons in a molecule can be separated.

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Copyleft

Copyleft (a play on the word copyright) is the practice of offering people the right to freely distribute copies and modified versions of a work with the stipulation that the same rights be preserved in derivative works down the line.

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Electronic structure

In quantum chemistry, electronic structure is the state of motion of electrons in an electrostatic field created by stationary nuclei.

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GNU General Public License

The GNU General Public License (GNU GPL or GPL) is a widely used free software license, which guarantees end users the freedom to run, study, share and modify the software.

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Molecular dynamics

Molecular dynamics (MD) is a computer simulation method for studying the physical movements of atoms and molecules.

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Package manager

A package manager or package management system is a collection of software tools that automate the process of installing, upgrading, configuring, and removing computer programs for a computer's operating system in a consistent manner.

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Projector augmented wave method

The projector augmented wave method (PAW) is a technique used in ab initio electronic structure calculations.

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References

[1] https://en.wikipedia.org/wiki/Pwpaw

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