Analytical Nuclear Gradients for the Multiconfigurational Self-Consistent Field Method Coupled with the Polarizable Fluctuating Charges Model. [PDF]
Mazza F +3 more
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Universal quantum computation using Ising anyons from a non-semisimple topological quantum field theory. [PDF]
Iulianelli F, Kim S, Sussan J, Lauda AD.
europepmc +1 more source
Effective Computation of Coupling Force Constants: Metal Carbonyls as a Test Case. [PDF]
Borgman H, Vasisth S, Grunenberg J.
europepmc +1 more source
Why Turing's Computable Numbers Are Only Non-Constructively Closed Under Addition. [PDF]
Edmonds J.
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On the implementation of maximum entropy sampling with unequal probabilities and without replacement. [PDF]
Aubry P.
europepmc +1 more source
Getting the Manifold Right: The Crucial Role of Orbital Resolution in DFT+U for Mixed d-f Electron Compounds. [PDF]
Warda K +4 more
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Multireference Equation-of-Motion-Driven Similarity Renormalization Group for X-ray Photoelectron Spectra. [PDF]
Li S, Zhao Z, Evangelista FA.
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Hadamard gate realization based on quantum Fourier transform for the creation of quantum numbers in the integrated optical domain. [PDF]
Armaghani S, Rostami A.
europepmc +1 more source

