Accelerating wavefunction in density-functional-theory embedding by truncating the active basis set

Simon J. Bennie, Martina Stella, Thomas F. Miller, Frederick R. Manby

Research output: Contribution to journal › Article (Academic Journal) › peer-review

43 Citations (Scopus)

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Scalable electronic structure theory: the embedded electron-pair approximation
Manby, F. R.
1/05/13 → 1/05/16
Project: Research
Quantum embedding in condensed-phase reactivity.
Manby, F. R.
1/12/11 → 1/09/12
Project: Research