Results 201 to 210 of about 1,860,621 (344)

Dynamically reconfigurable topological routing in nonlinear photonic systems. [PDF]

Light Sci Appl
Wong S, Betzold S, Höfling S, Cerjan A.
europepmc   +1 more source

Numerical Integration of Slater Basis Functions Over Prolate Spheroidal Grids

Journal of Computational Chemistry, Volume 47, Issue 1, 05 January 2026.
Atom‐centered Slater functions are integrated over a prolate spheroidal grid, allowing the use of larger basis sets in correlated electronic structure computations. ABSTRACT Slater basis functions have desirable properties that can improve electronic structure simulations, but improved numerical integration methods are needed. This work builds upon the
Alexander Stark, Nathan Meier, Jeffrey Hatch, Joshua A. Kammeraad, Duy‐Khoi Dang, Paul M. Zimmerman   +5 more
wiley   +1 more source

Path integral for the Weyl quantized relativistic Hamiltonian [PDF]

, 1986
Takashi Ichinose, Hiroshi Tamura
openalex   +1 more source

Quantum phase transition in the Casten pyramid using entanglement entropy in the semi-classical approximation of IBM-2. [PDF]

Sci Rep
Ghapanvari M, Sayedi M, Jafarizadeh MA, Amiri N.   +3 more
europepmc   +1 more source

Computational Characterization of the Energetics, Structure, and Spectroscopy of Biofuel Precursors: The Case of Furfural‐Acetone‐Furfural

Journal of Computational Chemistry, Volume 47, Issue 1, 05 January 2026.
First‐principles computational characterization of the furfural‐acetone‐furfural adduct from structural motif and conformers to vibrational and electronic spectra. ABSTRACT Using density functional theory, we identify the 30 low‐lying structures of the furfural‐acetone‐furfural adduct, a valuable biofuel precursor.
Neyla Cherif Benmoussa, Silvia Alessandrini, Laurens de Boer, Sihem Azizi, Hela Friha, Redouane Bachir, Majdi Hochlaf, Cristina Puzzarini, Roberto Linguerri   +8 more
wiley   +1 more source

Learning to Decompose: Human-Like Subgoal Preferences Emerge in Neural Networks Learning Graph Traversal. [PDF]

Open Mind (Camb)
Li Y, McClelland JL.
europepmc   +1 more source

Cobalt(II) Single‐Chain Magnet With Strong Anisotropy and Ferromagnetic IntraChain Coupling

Chemistry – A European Journal, Volume 32, Issue 1, 2 January 2026.
A new high‐performance single‐chain magnet (Ueff = 560 K) exhibits strong magnetic anisotropy and ferromagnetic intrachain interactions using redox‐active bridging ligands. ABSTRACT Co(II)‐based coordination polymer is reported as a new benchmark single‐chain magnet (SCM), exhibiting an energy barrier (Ueff) of 560 K and a blocking temperature (TB) of ...
Yongbing Shen, Mengxing Cui, Hiroyoshi Ohtsu, Olaf Stefanczyk, Masahiro Yamashita, Shin‐ichi Ohkoshi   +5 more
wiley   +1 more source

Strain engineering of topological transitions in 2D materials: a multi-band approach. [PDF]

Sci Rep
Azizi F.
europepmc   +1 more source

ON A "HAMILTONIAN PATH-INTEGRAL" DERIVATION OF THE SCHRODINGER EQUATION (Spectral-scattering theory and related topics)

, 1998
Atsushi Inoue
openalex   +1 more source

Constructing Hamiltonian quantum theories from path integrals in a diffeomorphism-invariant context [PDF]

, 2000
Abhay Ashtekar, Donald Marolf, José M. Mourão, Thomas Thiemann   +3 more
openalex   +1 more source