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Title: Electronic and magnetic signatures of low-lying spin-flip excitonic states of Mn 12 O 12 -acetate

Journal Article · · Polyhedron

Not Available

Sponsoring Organization:
USDOE
Grant/Contract Number:
SC0019330
OSTI ID:
1806581
Journal Information:
Polyhedron, Journal Name: Polyhedron Journal Issue: C Vol. 206; ISSN 0277-5387
Publisher:
ElsevierCopyright Statement
Country of Publication:
United Kingdom
Language:
English

References (38)

Opportunities of Aqueous Manganese‐Based Batteries with Deposition and Stripping Chemistry journal December 2020
Zur Theorie der Metalle: I. Eigenwerte und Eigenfunktionen der linearen Atomkette journal March 1931
Size-consistent wave functions for bond-breaking: the equation-of-motion spin-flip model journal April 2001
Understanding Thermodynamic and Spectroscopic Properties of Tetragonal Mn 12 Single-Molecule Magnets from Combined Density Functional Theory/Spin-Hamiltonian Calculations journal August 2016
Mn Dimer Can Be Described Accurately with Density Functional Calculations When Self-Interaction Correction Is Applied journal April 2021
Single-Molecule Magnets:  Structural Characterization, Magnetic Properties, and 19 F NMR Spectroscopy of a Mn 12 Family Spanning Three Oxidation Levels journal July 2005
High-spin molecules: [Mn12O12(O2CR)16(H2O)4] journal March 1993
From Roaming Atoms to Hopping Surfaces: Mapping Out Global Reaction Routes in Photochemistry journal March 2015
Model Molecular Magnets journal August 2002
Magnetic bistability in a metal-ion cluster journal September 1993
Synthesis of layered LiMnO2 as an electrode for rechargeable lithium batteries journal June 1996
Electromagnetic control of spin ordered Mn 3 qubits: a density functional study journal January 2020
The Drosophila of single-molecule magnetism: [Mn12O12(O2CR)16(H2O)4] journal January 2009
Hysteresis in the ground and excited spin state up to 10 T of a [MnIII6MnIII]3+ triplesalen single-molecule magnet journal January 2012
Electronic structure and magnetic anisotropy for nickel-based molecular magnets journal May 2005
Theoretical calculations of magnetic order and anisotropy energies in molecular magnets journal May 2000
The antiferromagnetic Mn 2 molecule journal June 1981
Avoided crossings, conical intersections, and low-lying excited states with a single reference method: The restricted active space spin-flip configuration interaction approach journal August 2012
Direct location of the minimum point on intersection seams of potential energy surfaces with equation-of-motion coupled-cluster methods journal October 2007
Heisenberg Exchange Interaction of Two Mn Atoms journal July 1964
Optimization of Gaussian basis sets for density-functional calculations journal October 1999
Coulomb correlation in noncollinear antiferromagnetic α -Mn journal February 2020
Pseudopotential local-spin-density studies of neutral and charged Mg n ( n ≤7) clusters journal June 1990
Variational mesh for quantum-mechanical simulations journal April 1990
Accurate forces in a local-orbital approach to the local-density approximation journal August 1990
Magnetic transition in Mn n ( n = 2 – 8 ) clusters journal September 1998
Magnetic anisotropy barrier for spin tunneling in Mn 12 O 12 molecules journal October 1999
Properties of low-lying excited manifolds in Mn 12 acetate journal January 2004
First-principles modeling of magnetic excitations in Mn 12 journal June 2014
Thermodynamic observables of Mn 12 -acetate calculated for the full spin Hamiltonian journal August 2015
Strongly Correlated Electrons in the [ Ni ( hmp ) ( R OH ) X ] 4 Single Molecule Magnet: A DFT + U Study journal April 2008
Strongly Constrained and Appropriately Normed Semilocal Density Functional journal July 2015
Magnetic Exchange Interactions in the Molecular Nanomagnet Mn 12 journal November 2017
Three Jahn-Teller States of Matter in Spin-Crossover System Mn(taa) journal June 2020
Generalized Gradient Approximation Made Simple journal October 1996
Neutron Spectroscopy for the Magnetic Anisotropy of Molecular Clusters journal November 1998
Low-Energy Magnetic Excitations of the Mn 12 -Acetate Spin Cluster Observed by Neutron Scattering journal July 1999
The Normal Constants of Motion in Quantum Mechanics Treated by Projection Technique journal July 1962