Results 91 to 100 of about 99,794 (163)

Analytical Nuclear Gradients for the Multiconfigurational Self-Consistent Field Method Coupled with the Polarizable Fluctuating Charges Model. [PDF]

J Chem Theory Comput
Mazza F, Trinari M, Sepali C, Cappelli C.   +3 more
europepmc   +1 more source

Universal quantum computation using Ising anyons from a non-semisimple topological quantum field theory. [PDF]

Nat Commun
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]

J Chem Theory Comput
Borgman H, Vasisth S, Grunenberg J.
europepmc   +1 more source

Why Turing's Computable Numbers Are Only Non-Constructively Closed Under Addition. [PDF]

Entropy (Basel)
Edmonds J.
europepmc   +1 more source

On the implementation of maximum entropy sampling with unequal probabilities and without replacement. [PDF]

MethodsX
Aubry P.
europepmc   +1 more source

Theory of Computing Systems [PDF]

, 2013
openaire   +1 more source

Getting the Manifold Right: The Crucial Role of Orbital Resolution in DFT+U for Mixed d-f Electron Compounds. [PDF]

J Chem Theory Comput
Warda K, Macke E, Timrov I, Colombi Ciacchi L, Kowalski PM.   +4 more
europepmc   +1 more source

Multireference Equation-of-Motion-Driven Similarity Renormalization Group for X-ray Photoelectron Spectra. [PDF]

J Chem Theory Comput
Li S, Zhao Z, Evangelista FA.
europepmc   +1 more source

Free quantum computing. [PDF]

Proc Natl Acad Sci U S A
Carette J, Heunen C, Kaarsgaard R, Ross NJ, Sabry A.   +4 more
europepmc   +1 more source

Hadamard gate realization based on quantum Fourier transform for the creation of quantum numbers in the integrated optical domain. [PDF]

Sci Rep
Armaghani S, Rostami A.
europepmc   +1 more source