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Results 161 to 170 of about 103,387 (276)

On Multilevel Energy‐Based Fragmentation Methods

International Journal of Quantum Chemistry, Volume 126, Issue 3, January 30, 2026.
We investigate the working equations of energy‐based fragmentation methods and present ML‐SUPANOVA, a Möbius‐inversion‐based multilevel fragmentation scheme that enables adaptive, quasi‐optimal truncations to efficiently approximate Born‐Oppenheimer potentials across hierarchies of electronic‐structure methods and basis sets.
James Barker, Michael Griebel, Jan Hamaekers +2 more
wiley +1 more source

Gravitational catalysis of nuclear synthesis from positrons, electrons and neutrinos. [PDF]

Sci Rep
Vayenas CG, Tsousis DG, Martino E.
europepmc +1 more source

Spectroscopic Fingerprinting of Coordination‐driven Spin States in Metal‐organic Architectures

Chemistry – A European Journal, Volume 32, Issue 3, 16 January 2026.
Coordination geometry controls spin states in Co‐TCNQ frameworks. Combined theory and XAS confirm the high‐spin Co2+ on graphene and establish a direct approach for spin‐state assignment in metal‐organic systems. ABSTRACT Determining the local geometry of metal‐organic architecture on substrates is challenging, as substrate interactions can alter the ...
Yan Yan Grisan Qiu +10 more
wiley +1 more source

Effects of modified woods saxon potential on quantum dynamics of spin 0 scalar particle in a cosmic string spacetime. [PDF]

Sci Rep
Ahmed F, Bouzenada A.
europepmc +1 more source

Relativistic Limits on the Discretization and Temporal Resolution of a Quantum Clock. [PDF]

Entropy (Basel)
Favalli T.
europepmc +1 more source

Relativistic quantum mechanics of charged vortex particles accelerated in a uniform electric field

Qi Meng +8 more
openalex +1 more source

Closed-form spin-relativistic corrections from the Dirac equation enabling a modified Schrödinger solver. [PDF]

Sci Rep
Amaro MB, Nazeef, Dussech CJ, Qi C.
europepmc +1 more source

Magnetized plasma rotator for relativistic mid-infrared pulses via frequency-variable Faraday rotation. [PDF]