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Volume 1 Issue 12, December 2021

Accelerating quantum chemistry methods for metals

Computationally efficient and accurate quantum mechanical approximations to solve the many-electron Schrödinger equation are crucial in materials science. The computational cost can be prohibitively high for metals to account for long-range electronic correlation effects. In this issue, Shepherd et al. show an approach to effectively reduce the cost required to reach the thermodynamic limit for correlation energy in metals. This method can be applied to a wide range of materials to investigate essential phenomena, such as semiconductor-to-metal phase transitions.

See Shepherd et al. and Sun

Image: Mordolff/Getty. Cover design: Dave Johnston.

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