Results 121 to 130 of about 6,198,913 (198)

Exactly Factorized Molecular Kohn-Sham Density Functional Theory. [PDF]

J Comput Chem
Dupuy L, Lasorne B, Fromager E.
europepmc   +1 more source

Optical pulling force in carbon nanotubes: Manifestation of non-local conductivity. [PDF]

iScience
Berghaus T, Miloh T, Slepyan GY.
europepmc   +1 more source

Symmetry-Adapted Relaxation Theory (SART): Variational Embedding for Convergent Infinite-Order Induction without Overpolarization. [PDF]

J Chem Theory Comput
Dihingia H, Tyrcha B, Vanich E, Patkowski K, Misquitta AJ, Żuchowski PS.   +5 more
europepmc   +1 more source

Intermolecular Interactions of Large Systems: Boron Nitrides, Acenes, and Coronenes. [PDF]

J Phys Chem A
Fishman V, Martin JML, Boese AD.
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Nodal Error behind Discrepancies between Coupled Cluster and Diffusion Monte Carlo. [PDF]

J Chem Theory Comput
Lambie S, Ríos PL, Kats D, Alavi A.
europepmc   +1 more source

Toward Accurate RIXS Spectra at Heavy Element Edges: A Relativistic Four-Component and Exact Two-Component TDDFT Approach. [PDF]

J Chem Theory Comput
Konecny L, Dada MA, Nascimento DR, Repisky M.   +3 more
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Orientable Surfactants on Thin Liquid Films: A Dynamic Density-Functional Theory Approach. [PDF]

J Phys Chem B
Kay T, Kalliadasis S.
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Scattering properties of Intralipid modeled using dependent scattering theory. [PDF]

J Biomed Opt
Attendu X, de Sivry-Houle MP, Shahsavari M, Faber DJ, van der Pol E, van Leeuwen TG.   +5 more
europepmc   +1 more source

Inverse-Probability-Weighted Wavelet Estimation of Regression Derivatives Under Missing-at-Random Responses for Stationary Ergodic Processes. [PDF]

Entropy (Basel)
Bouzebda S, Didi S.
europepmc   +1 more source