Mesh-free canonical tensor products for six-dimensional density matrix: computation of kinetic energy

DOI10.1007/s00791-016-0263-5zbMath1367.65193OpenAlexW1496951998MaRDI QIDQ2363727

Mike Espig, Sambasiva Rao Chinnamsetty, Wolfgang Hackbusch

Publication date: 26 July 2017

Published in: Computing and Visualization in Science (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1007/s00791-016-0263-5

zbMATH Keywords

kinetic energydensity matrixLaplacianelectronic structure calculationsmesh-freecanonical tensor productsnuclear cusps

Mathematics Subject Classification ID

Computational methods for problems pertaining to quantum theory (81-08)

Uses Software

• MOLPRO

Cites Work

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