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Laura E. Ratcliff
Laura E. Ratcliff
Density functional theory
Atomic physics
Chemistry
Materials science
Quantum
5
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Combining Pseudopotential and All Electron Density Functional Theory for the Efficient Calculation of Core Spectra using a Multiresolution Approach
2018
arXiv: Chemical Physics
Laura E. Ratcliff
W. Scott Thornton
Alvaro Vazquez Mayagoitia
Nichols A. Romero
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Zirconia and its allotropes; A Quantum Monte Carlo study.
2017
Bulletin of the American Physical Society
Anouar Benali
Hyeondeok Shin
Ye Luo
Alejandro Lopez Bezanilla
Laura E. Ratcliff
Andrea M. Jokisaari
Olle Heinonen
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Molecular dynamics and charge transport in organic semiconductors: a classical approach to modeling electron transfer
2017
The Royal Society of Chemistry
Kenley M. Pelzer
Alvaro Vazquez Mayagoitia
Laura E. Ratcliff
Sergei Tretiak
Raymond A. Bair
Stephen K. Gray
Ross E. Larsen
Seth B. Darling
Troy van Voorhis
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Challenges in Large Scale Quantum Mechanical Calculations
2016
arXiv: Chemical Physics
Laura E. Ratcliff
Stephan Mohr
Georg Huhs
Thierry Deutsch
Michel Masella
Luigi Genovese
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Complexity reduction in Large Quantum Systems I: Fragment identification and Population Analysis via a local optimized minimal basis
2016
arXiv: Chemical Physics
Stephan Mohr
Michel Masella
Laura E. Ratcliff
Luigi Genovese
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