Results 81 to 90 of about 244 (149)

Bridging physical intuition and hardware efficiency for correlated electronic states: the local unitary cluster Jastrow ansatz for electronic structure. [PDF]

Chem Sci, 2023
Motta M, Sung KJ, Whaley KB, Head-Gordon M, Shee J.   +4 more
europepmc   +1 more source

Radiofrequency Bias Correction of Magnetization Prepared Rapid Gradient Echo MRI at 7.0 Tesla Using an External Reference in a Sequential Protocol. [PDF]

Tomography, 2021
Olsson H, Novén M, Lätt J, Wirestam R, Helms G.   +4 more
europepmc   +1 more source

The Bundle Structure of Noncommutative Tori over $UHF$-Algebras

Bulletin of the Belgian Mathematical Society - Simon Stevin, 2003
The author discusses the noncommutative torus of rank \(n\) as the \(C^*\)-algebra of sections of a locally trivial continuous \(C^*\)-algebra bundle for some totally skew multiplier. He shows that the typical fiber is isomorphic to the tensor product of some completely irrational noncommutative torus and the algebra of complex \(k\times k\)-matrices ...
openaire   +3 more sources

On the Fixed Point Algebra of a UHF Algebra under a Periodic Automorphism of Product Type

Publications of the Research Institute for Mathematical Sciences, 1977
We study the fixed point algebra \mathfrak A^\alpha of a UHF algebra \mathfrak A under a periodic automorphism \alpha
openaire   +2 more sources

Type III representations and automorphisms of some separable nuclear C∗-algebras

, 2003
Powers proved decades ago that if two cyclic representations π1 and π2 of a UHF algebra A satisfy that π1(A)″≅π2(A)″=M, there is an automorphism α of A such that π1α and π2 are quasi-equivalent. This was recently extended to the class of simple separable
Kataoka, Nobuhiro, Futamura, Hajime, Kishimoto, Akitaka   +2 more
core   +1 more source

Second-Order CASSCF Algorithm with the Cholesky Decomposition of the Two-Electron Integrals. [PDF]

J Chem Theory Comput, 2021
Nottoli T, Gauss J, Lipparini F.
europepmc   +1 more source

Psi4 1.4: Open-source software for high-throughput quantum chemistry. [PDF]

J Chem Phys, 2020
Smith DGA, Burns LA, Simmonett AC, Parrish RM, Schieber MC, Galvelis R, Kraus P, Kruse H, Di Remigio R, Alenaizan A, James AM, Lehtola S, Misiewicz JP, Scheurer M, Shaw RA, Schriber JB, Xie Y, Glick ZL, Sirianni DA, O'Brien JS, Waldrop JM, Kumar A, Hohenstein EG, Pritchard BP, Brooks BR, Schaefer HF, Sokolov AY, Patkowski K, DePrince AE, Bozkaya U, King RA, Evangelista FA, Turney JM, Crawford TD, Sherrill CD.   +34 more
europepmc   +1 more source

CRYSTAL23: A Program for Computational Solid State Physics and Chemistry. [PDF]

J Chem Theory Comput, 2023
Erba A, Desmarais JK, Casassa S, Civalleri B, Donà L, Bush IJ, Searle B, Maschio L, Edith-Daga L, Cossard A, Ribaldone C, Ascrizzi E, Marana NL, Flament JP, Kirtman B.   +14 more
europepmc   +1 more source

Computable $K$-theory for $\mathrm{C}^*$-algebras: UHF algebras

We initiate the study of the effective content of $K$-theory for $\mathrm{C}^*$-algebras. We prove that there are computable functors which associate, to a computably enumerable presentation of a $\mathrm{C}^*$-algebra $\boldA$, computably enumerable presentations of the abelian groups $K_0(\boldA)$ and $K_1(\boldA)$. When $\boldA$ is stably finite, we
Eagle, Christopher, Goldbring, Isaac, McNicholl, Timothy, Miller, Russell   +3 more
openaire   +2 more sources

Effective Reconstruction of Expectation Values from Ab Initio Quantum Embedding. [PDF]

J Chem Theory Comput, 2023
Nusspickel M, Ibrahim B, Booth GH.
europepmc   +1 more source