Top Tweets for #electroncorrelation
Prof. Yang Lexian from the Department of Physics is the first to reveal the fundamental #electronicstructure characteristics of CsCr3Sb5, particularly the presence of #flatbands and strong #electroncorrelation effects. #InnovativeTsinghua More: https://t.co/OyWiPRQJxo
Prof. Yang Lexian from the Department of Physics is the first to reveal the fundamental #electronicstructure characteristics of CsCr3Sb5, particularly the presence of #flatbands and strong #electroncorrelation effects. #InnovativeTsinghua More: https://t.co/OyWiPRQJxo
A new way to spot molecules that need highly accurate electronic structure methods. The @GrowKudos profile of our most recent publication. #electroncorrelation https://t.co/0srGRxNK28 https://t.co/wW9JUNbtNT
The duhka of DFT: a noble path to better functionals via a point electron approximation for the exchange–correlation hole
https://t.co/1N82qiOthi
#chemistry #bioinformatics #DFT #ElectronCorrelation
The duhka of DFT: a noble path to better functionals via a point electron approximation for the exchange–correlation hole
https://t.co/1mWwxDu9cH
#chemistry #bioinformatics #DFT #ElectronCorrelation
J Chem. Theory Comput.
237Np #Mössbauer Isomer Shifts: A Lesson About the Balance of Static and Dynamic #ElectronCorrelation in Heavy Element Complexes
@UBChemistry @JCIM_JCTC #CASSCF
https://t.co/sDsSvmZgSs
J Phys. Chem. Lett.
Efficient #Adiabatic Connection Approach for #StronglyCorrelated Systems: Application to Singlet–Triplet Gaps of #Biradicals
@JPhysChem #ElectronCorrelation
https://t.co/BYTPRe6Dr8
J Chem. Theory Comput.
Exact-Two-Component #Relativistic #Multireference Second-Order #PerturbationTheory
@JCIM_JCTC #ElectronCorrelation #spinorbitcoupling #activespace #chemtwitter #chemistry #sciencenews #innovation
https://t.co/vQUmUih3SB
#RecommendedPaper #InterestingPaper
Combining EXAFS and Computer Simulations to Refine the Structural Description of Actinyls in Water
By Enrique Sánchez Marcos, et al.
👉https://t.co/HlALVF1o73
#actinyls
#simulations
#forcefielddevelopment
#electroncorrelation
#HighlyCitedPaper #HighlyAccessedPaper
An Interacting Quantum Atoms (IQA) and Relative Energy Gradient (REG) Study of the Halogen Bond with Explicit Analysis of Electron Correlation
By: Paul L. A. Popelier, et al.
👉 https://t.co/qoZe6weAk2
📌#Quantum #ElectronCorrelation
#mdpimolecules An Interacting Quantum Atoms (IQA) and Relative Energy Gradient (REG) Study of the Halogen Bond with Explicit Analysis of Electron Correlation https://t.co/qoZe6weAk2 #REG #IQA #QCT #electroncorrelation #halogenbonding #covalency
Simple method of calculating #ElectronCorrelation energy density from MP2 amplitudes or CI coefficients proposed https://t.co/OlSLdjsZCK
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