Giovanni Li Manni
Giovanni Li Manni
Researcher at Max Planck Institute FKF - Stuttgart
Verified email at fkf.mpg.de
Title
Cited by
Cited by
Year
Molcas 8: New capabilities for multiconfigurational quantum chemical calculations across the periodic table
F Aquilante, J Autschbach, RK Carlson, LF Chibotaru, MG Delcey, ...
Journal of computational chemistry 37 (5), 506-541, 2016
9692016
Multiconfiguration pair-density functional theory
G Li Manni, RK Carlson, S Luo, D Ma, J Olsen, DG Truhlar, L Gagliardi
Journal of chemical theory and computation 10 (9), 3669-3680, 2014
2182014
The generalized active space concept in multiconfigurational self-consistent field methods
D Ma, G Li Manni, L Gagliardi
The Journal of chemical physics 135 (4), 044128, 2011
1742011
Multiconfiguration pair-density functional theory: A new way to treat strongly correlated systems
L Gagliardi, DG Truhlar, G Li Manni, RK Carlson, CE Hoyer, JL Bao
Accounts of Chemical Research 50 (1), 66-73, 2017
1462017
Combining the complete active space self-consistent field method and the full configuration interaction quantum Monte Carlo within a super-CI framework, with application to …
G Li Manni, SD Smart, A Alavi
Journal of chemical theory and computation 12 (3), 1245-1258, 2016
1182016
OpenMolcas: From source code to insight
I Fdez. Galván, M Vacher, A Alavi, C Angeli, F Aquilante, J Autschbach, ...
Journal of chemical theory and computation 15 (11), 5925-5964, 2019
1072019
On the analysis of the Cr− Cr multiple bond in several classes of dichromium compounds
G La Macchia, G Li Manni, TK Todorova, M Brynda, F Aquilante, BO Roos, ...
Inorganic chemistry 49 (11), 5216-5222, 2010
892010
SplitGAS Method for Strong Correlation and the Challenging Case of Cr2
G Li Manni, D Ma, F Aquilante, J Olsen, L Gagliardi
Journal of chemical theory and computation 9 (8), 3375-3384, 2013
872013
Strong correlation treated via effective hamiltonians and perturbation theory
G Li Manni, F Aquilante, L Gagliardi
The Journal of chemical physics 134 (3), 034114, 2011
522011
Assessing Metal–Metal Multiple Bonds in Cr-Cr, Mo-Mo, and W-W Compounds and a Hypothetical U-U Compound: A Quantum Chemical Study Comparing DFT and Multireference Methods
G Li Manni, AL Dzubak, A Mulla, DW Brogden, JF Berry, L Gagliardi
Chemistry–A European Journal 18 (6), 1737-1749, 2012
512012
Multiconfiguration pair-density functional theory: Barrier heights and main group and transition metal energetics
RK Carlson, G Li Manni, AL Sonnenberger, DG Truhlar, L Gagliardi
Journal of Chemical Theory and Computation 11 (1), 82-90, 2015
482015
A Two-Coordinate Manganese (0) Complex with an Unsupported Mn–Mg Bond: Allowing Access to Low Coordinate Homo-and Heterobimetallic Compounds
J Hicks, CE Hoyer, B Moubaraki, G Li Manni, E Carter, DM Murphy, ...
Journal of the American Chemical Society 136 (14), 5283-5286, 2014
432014
Understanding the mechanism stabilizing intermediate spin states in Fe (II)-porphyrin
G Li Manni, A Alavi
The Journal of Physical Chemistry A 122 (22), 4935-4947, 2018
382018
Second-order perturbation theory for generalized active space self-consistent-field wave functions
D Ma, G Li Manni, J Olsen, L Gagliardi
Journal of chemical theory and computation 12 (7), 3208-3213, 2016
362016
Systematic expansion of active spaces beyond the CASSCF limit: A GASSCF/SplitGAS benchmark study
KD Vogiatzis, G Li Manni, SJ Stoneburner, D Ma, L Gagliardi
Journal of chemical theory and computation 11 (7), 3010-3021, 2015
342015
Separated-pair approximation and separated-pair pair-density functional theory
SO Odoh, G Li Manni, RK Carlson, DG Truhlar, L Gagliardi
Chemical science 7 (3), 2399-2413, 2016
312016
Oxidative Stretching of Metal–Metal Bonds to Their Limits
DW Brogden, Y Turov, M Nippe, G Li Manni, EA Hillard, R Clérac, ...
Inorganic chemistry 53 (9), 4777-4790, 2014
282014
Role of Valence and Semicore Electron Correlation on Spin Gaps in Fe (II)-Porphyrins
G Li Manni, D Kats, DP Tew, A Alavi
Journal of chemical theory and computation 15 (3), 1492-1497, 2019
252019
Computational insights into uranium complexes supported by redox-active α-diimine ligands
G Li Manni, JR Walensky, SJ Kraft, WP Forrest, LM Pérez, MB Hall, ...
Inorganic chemistry 51 (4), 2058-2064, 2012
192012
Controversial electronic structures and energies of Fe2, Fe 2+, and Fe 2− resolved by RASPT2 calculations
CE Hoyer, G Li Manni, DG Truhlar, L Gagliardi
The Journal of chemical physics 141 (20), 204309, 2014
172014
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