Results 101 to 110 of about 3,416 (193)

Local convergence of Newton's method using Kantorovich convex majorants

Journal of Numerical Analysis and Approximation Theory, 2010
We are concerned with the problem of approximating a solution of an operator equation using Newton's method. Recently in the elegant work by Ferreira and Svaiter [6] a semilocal convergence analysis was provided which makes clear the relationship of the
Ioannis K. Argyros
doaj   +2 more sources

Rigidity of infinitesimal momentum maps

, 2015
In this paper we prove rigidity theorems for Poisson Lie group actions on Poisson manifolds. In particular, we prove that close infinitesimal momentum maps associated to Poisson Lie group actions are equivalent using a normal form theorem for SCI spaces.
Esposito, Chiara, Miranda, Eva
core  

Data-Driven Learning of Optimal Position-Dependent Exact-Exchange Energy Density Mixing for Improved Density Functionals. [PDF]

J Phys Chem A
Kaupp M, Kovács N, Wodyński A.
europepmc   +1 more source

Toward Doubly Local Double Hybrid Functionals Using Neural-Network Local Mixing Functions. [PDF]

J Chem Theory Comput
Kovács N, Śmiga S, Kaupp M, Wodyński A.   +3 more
europepmc   +1 more source

Carrier mobilities and electron-phonon interactions beyond DFT. [PDF]

NPJ Comput Mater
Poliukhin A, Colonna N, Libbi F, Poncé S, Marzari N.   +4 more
europepmc   +1 more source

Accurate density functional theory for noncovalent interactions in charged systems. [PDF]

Sci Adv
Zhao H, Lőrincz BD, Henkes T, Berta D, Nagy PR, Tkatchenko A, Vuckovic S.   +6 more
europepmc   +1 more source

Freeze-and-Release Direct Optimization Method for Variational Calculations of Excited Electronic States. [PDF]

J Chem Theory Comput
Schmerwitz YLA, Selenius E, Levi G.
europepmc   +1 more source

Benchmarking Density Functional Theory for Accurate Calculation of Nitride Band Gaps. [PDF]

J Chem Theory Comput
Mohn CE, Fjellvåg H, Vajeeston P, Valldor M, Bergum K.   +4 more
europepmc   +1 more source

Can Semilocal Approximations to the Embedding Potential Tackle Charge-Transfer-to-Solvent Excitations? An Aqueous Thiocyanate Example. [PDF]

J Chem Theory Comput
Roy PO, Fu M, Sarangi R, Krylov AI, Wesolowski TA.   +4 more
europepmc   +1 more source

Finite Difference Interpolation for Reduction of Grid-Related Errors in Real-Space Pseudopotential Density Functional Theory. [PDF]

J Chem Theory Comput, 2023
Roller D, Rappe AM, Kronik L, Hellman O.
europepmc   +1 more source