Követés
Francisco Ballesteros
Francisco Ballesteros
Postdoc at University of Zurich
E-mail megerősítve itt: chem.uzh.ch
Cím
Hivatkozott rá
Hivatkozott rá
Év
Coupled cluster benchmarks of large noncovalent complexes: The L7 dataset as well as DNA–ellipticine and buckycatcher–fullerene
F Ballesteros, S Dunivan, KU Lao
The Journal of Chemical Physics 154 (15), 2021
392021
Coupled Cluster Benchmarking of Large Noncovalent Complexes in L7 and S12L as Well as the C60 Dimer, DNA–Ellipticine, and HIV–Indinavir
C Villot, F Ballesteros, D Wang, KU Lao
The Journal of Physical Chemistry A 126 (27), 4326-4341, 2022
302022
Accelerating the convergence of self-consistent field calculations using the many-body expansion
F Ballesteros, KU Lao
Journal of Chemical Theory and Computation 18 (1), 179-191, 2021
142021
An accurate and efficient fragmentation approach via the generalized many-body expansion for density matrices
F Ballesteros, JA Tan, KU Lao
The Journal of chemical physics 159 (7), 2023
52023
Analysis of two overlapping fragmentation approaches in density matrix construction: GMBE-DM vs. ADMA
F Ballesteros, KU Lao
Physical Chemistry Chemical Physics 26 (5), 4386-4394, 2024
12024
Accurate and Efficient Fragmentation Methods for Electronic Structure Theory: Utilizing Set Theory to Construct Density Matrices in Noncovalent Clusters and Covalent-Bound Systems
F Ballesteros
2024
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