Results 141 to 150 of about 1,147 (194)

Riemannian Newton Methods for Energy Minimization Problems of Kohn-Sham Type. [PDF]

J Sci Comput
Altmann R, Peterseim D, Stykel T.
europepmc   +1 more source

Compact locally Hessian manifolds

Osaka Journal of Mathematics, 1978
openaire   +4 more sources

Comparison theorems on H-type sub-Riemannian manifolds. [PDF]

Calc Var Partial Differ Equ
Baudoin F, Grong E, Rizzi L, Vega-Molino S.   +3 more
europepmc   +1 more source

Analytical Nuclear Gradients for State-Averaged Configuration Interaction Singles Variants: Application to Conical Intersections. [PDF]

J Chem Theory Comput
Tsuchimochi T.
europepmc   +1 more source

Associative Phase Behavior and Negative Second-Order Virial Coefficients in Analytical Calculations of the Spinodal for Complex Mixtures Composed of Many Components. [PDF]

ACS Omega
Bot A, Brussee R, Venema P.
europepmc   +1 more source

Phase Space Electronic Structure Theory: From Diatomic Lambda-Doubling to Macroscopic Einstein-de Haas. [PDF]

J Phys Chem Lett
Peng L, Qiu T, Bradbury N, Bian X, Bhati M, Littlejohn R, Kidwell NM, Subotnik JE.   +7 more
europepmc   +1 more source

Onsager's Non-Equilibrium Thermodynamics as Gradient Flow in Information Geometry. [PDF]

Entropy (Basel)
Wada T, Scarfone AM.
europepmc   +1 more source

Harnessing generative AI for predicting and optimizing antimicrobial peptides against drug-resistant infections. [PDF]

NPJ Antimicrob Resist
Clemens S, Löchel HF, Häußer N, Wannemacher F, Bertrams W, Schmeck B, Heider D.   +6 more
europepmc   +1 more source

On the Hessian of the square of the distance on a manifold with a pole

Proceedings of the Japan Academy, Series A, Mathematical Sciences, 1980
openaire   +3 more sources