Results 141 to 150 of about 23,211 (263)

Lossless and Lossy Characterization of the State of Perturbed Anharmonic Diatomics: An Information-Theoretic Compaction of Quantum Dynamics. [PDF]

J Chem Theory Comput
Hamilton JR, Levine RD.
europepmc   +1 more source

Advanced control of non‐isothermal axial dispersion tubular reactors with recycle‐induced state delay

The Canadian Journal of Chemical Engineering, EarlyView.
Abstract We develop a delay‐aware estimation and control framework for a non‐isothermal axial dispersion tubular reactor modelled as a coupled parabolic‐hyperbolic PDE system with recycle‐induced state delay. The infinite‐dimensional dynamics are preserved without spatial discretization by representing the delay as a transport PDE and adopting a late ...
Behrad Moadeli, Stevan Dubljevic
wiley   +1 more source

Playing with fire? A mean‐field game analysis of fire sales and systemic risk under regulatory capital constraints

Canadian Journal of Statistics, EarlyView.
Abstract We analyze the effect of regulatory capital constraints on financial stability in a large homogeneous banking system using a mean‐field game (MFG) model. Each bank holds cash and a tradable risky asset. Banks choose absolutely continuous trading rates in order to maximize expected terminal equity, with trades subject to transaction costs ...
Rüdiger Frey, Theresa Traxler
wiley   +1 more source

Bridging Vibrations and Spins: Mode-Resolved Spin-Phonon Coupling Revealed through THz EPR/Magnetic IR Simulation. [PDF]

J Phys Chem A
Chen H, van Gastel M, Schnegg A, Neese F.   +3 more
europepmc   +1 more source

Existence of Full Replica Symmetry Breaking for the Sherrington–Kirkpatrick Model at Low Temperature

Communications on Pure and Applied Mathematics, EarlyView.
ABSTRACT We verify the existence of full replica symmetry breaking (FRSB) for the Sherrington–Kirkpatrick (SK) model and determine the structure of its Parisi measure slightly beyond the high temperature regime. More specifically, we prove that the support of the Parisi measure for the SK model consists of an interval starting at the origin slightly ...
Yuxin Zhou
wiley   +1 more source

<i>n</i>-Mode Quantized Anharmonic Vibronic Hamiltonians for Matrix Product State Dynamics. [PDF]

J Chem Theory Comput
Barandun V, Glaser N, Reiher M.
europepmc   +1 more source

The Huang–Yang Formula for the Low‐Density Fermi Gas: Upper Bound

Communications on Pure and Applied Mathematics, EarlyView.
ABSTRACT We study the ground state energy of a gas of spin 1/2$1/2$ fermions with repulsive short‐range interactions. We derive an upper bound that agrees, at low density ϱ$\varrho$, with the Huang–Yang conjecture. The latter captures the first three terms in an asymptotic low‐density expansion, and in particular the Huang–Yang correction term of order
Emanuela L. Giacomelli, Christian Hainzl, Phan Thành Nam, Robert Seiringer   +3 more
wiley   +1 more source

Quantum computation of the electronic structure of some prototype solids. [PDF]

Sci Rep
Khandelwal N, Verma N, Jamdagni P, Kumar A.   +3 more
europepmc   +1 more source

The Electronic Spin State of Diradicals Obtained from the Nuclear Perspective: The Strange Case of Chichibabin Radicals

ChemPhysChem, Volume 26, Issue 6, March 15, 2025.
The electronic spin state of two Chichibabin radicals is investigated using 2‐dimensional hyperfine correlated Electron Nuclear Double Resonance. The protons (I=1/2) act as a reference for the electronic spin quantum number (S) via their hyperfine interactions.
Gabriel Moise, Saleta Fernández, Kit Joll, Mikhail V. Vaganov, Fátima García, Christiane R. Timmel, Diego Peña, Arzhang Ardavan   +7 more
wiley   +1 more source

Quantum-Electrodynamical Time-Dependent Density Functional Theory Description of Molecules in Optical Cavities. [PDF]

J Chem Theory Comput
Aklilu Y, Shepherd M, Covington CL, Varga K.   +3 more
europepmc   +1 more source