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Physical Chemistry Chemical Physics : PCCP
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September 15, 2021
Modeling magnetic interactions in high-valent trinuclear [Mn<sub>3</sub><sup>(IV)</sup>O<sub>4</sub>]<sup>4+</sup> complexes through highly compressed multi-configurational wave functions
Giovanni Li Manni
The Journal of Physical Chemistry. A
|
March 30, 2018
Understanding the Mechanism Stabilizing Intermediate Spin States in Fe(II)-Porphyrin
Giovanni Li Manni, Ali Alavi
Journal of Chemical Theory and Computation
|
November 10, 2025
A Genetic Algorithm Approach for Compact Wave Function Representations in Spin-Adapted Bases
Maru Song, Giovanni Li Manni
Journal of Chemical Theory and Computation
|
May 1, 2023
Magnetic Interactions in a [Co(II)<sub>3</sub>Er(III)(OR)<sub>4</sub>] Model Cubane through Forefront Multiconfigurational Methods
Ruocheng Han, Sandra Luber, Giovanni Li Manni
Journal of Chemical Theory and Computation
|
December 5, 2023
Exploiting Locality in Full Configuration Interaction Quantum Monte Carlo for Fast Excitation Generation
Oskar Weser, Ali Alavi, Giovanni Li Manni
Journal of Chemical Theory and Computation
|
February 14, 2020
Compression of Spin-Adapted Multiconfigurational Wave Functions in Exchange-Coupled Polynuclear Spin Systems
Giovanni Li Manni, Werner Dobrautz, Ali Alavi
The Journal of Chemical Physics
|
August 3, 2011
The generalized active space concept in multiconfigurational self-consistent field methods
Dongxia Ma, Giovanni Li Manni, Laura Gagliardi
Journal of Chemical Theory and Computation
|
February 3, 2023
Resolution of Electronic States in Heisenberg Cluster Models within the Unitary Group Approach
Giovanni Li Manni, Daniel Kats, Niklas Liebermann
Faraday Discussions
|
August 19, 2024
Permutation symmetry in spin-adapted many-body wave functions
Maru Song, Ali Alavi, Giovanni Li Manni
The Journal of Chemical Physics
|
January 26, 2011
Strong correlation treated via effective hamiltonians and perturbation theory
Giovanni Li Manni, Francesco Aquilante, Laura Gagliardi
Page
of 5
Search research articles
Search
Showing results (1-10 of 44) with videos related to
Sort By:
Page
of 5
Physical Chemistry Chemical Physics : PCCP
|
September 15, 2021
Modeling magnetic interactions in high-valent trinuclear [Mn<sub>3</sub><sup>(IV)</sup>O<sub>4</sub>]<sup>4+</sup> complexes through highly compressed multi-configurational wave functions
Giovanni Li Manni
The Journal of Physical Chemistry. A
|
March 30, 2018
Understanding the Mechanism Stabilizing Intermediate Spin States in Fe(II)-Porphyrin
Giovanni Li Manni, Ali Alavi
Journal of Chemical Theory and Computation
|
November 10, 2025
A Genetic Algorithm Approach for Compact Wave Function Representations in Spin-Adapted Bases
Maru Song, Giovanni Li Manni
Journal of Chemical Theory and Computation
|
May 1, 2023
Magnetic Interactions in a [Co(II)<sub>3</sub>Er(III)(OR)<sub>4</sub>] Model Cubane through Forefront Multiconfigurational Methods
Ruocheng Han, Sandra Luber, Giovanni Li Manni
Journal of Chemical Theory and Computation
|
December 5, 2023
Exploiting Locality in Full Configuration Interaction Quantum Monte Carlo for Fast Excitation Generation
Oskar Weser, Ali Alavi, Giovanni Li Manni
Journal of Chemical Theory and Computation
|
February 14, 2020
Compression of Spin-Adapted Multiconfigurational Wave Functions in Exchange-Coupled Polynuclear Spin Systems
Giovanni Li Manni, Werner Dobrautz, Ali Alavi
The Journal of Chemical Physics
|
August 3, 2011
The generalized active space concept in multiconfigurational self-consistent field methods
Dongxia Ma, Giovanni Li Manni, Laura Gagliardi
Journal of Chemical Theory and Computation
|
February 3, 2023
Resolution of Electronic States in Heisenberg Cluster Models within the Unitary Group Approach
Giovanni Li Manni, Daniel Kats, Niklas Liebermann
Faraday Discussions
|
August 19, 2024
Permutation symmetry in spin-adapted many-body wave functions
Maru Song, Ali Alavi, Giovanni Li Manni
The Journal of Chemical Physics
|
January 26, 2011
Strong correlation treated via effective hamiltonians and perturbation theory
Giovanni Li Manni, Francesco Aquilante, Laura Gagliardi
Page
of 5