Results 121 to 130 of about 378,672 (285)
Quantum‐Mechanical Wave Functions in Singular Potentials: Linear and Nonlinear States
Advanced Physics Research, EarlyView.The attractive singular potential −1/r2$-1/r^2$ gives rise to the quantum collapse in the 3D linear Schroedinger equation. The article summarizes theoretical results demonstrating suppression of the collapse and creation of the missing ground state (GS) in a gas of bosonic particles, carrying an electric dipole moment, which are pulled to the central ...
Hidetsugu Sakaguchi, Boris A. Malomed
wiley +1 more source
Bulletin of the Korean Chemical Society, EarlyView.Excited‐state absorption (ESA) spectra are notoriously hard to compute. We show that routine DFT and TDDFT vibronic transition calculations reproduce the vibronic band shapes and positions of azulene's experimental ESA spectrum, providing a practical route to assign ESA bands to specific electronic transitions and vibrational modes.
Joonyoung F. Joung, Sungnam Park
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Exact Solution of a Time-Dependent Quantum Harmonic Oscillator with Two Frequency Jumps via the Lewis-Riesenfeld Dynamical Invariant Method. [PDF]
Entropy (Basel), 2022 Coelho SS, Queiroz L, Alves DT.
europepmc +1 more source
Chemistry – A European Journal, EarlyView.We demonstrate the power of high‐resolution infrared spectroscopy and complementary quantum chemical calculations to unravel the evolution of the aromatic charge resonance interaction (CR) in cold trimer radical cations for the prototypical pyrrole clusters.
Dashjargal Arildii, Otto Dopfer
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Exact solutions of [Formula: see text]-dependent Schrödinger equation with quantum pseudo-harmonic oscillator and its applications for the thermodynamic properties in normal and superstatistics. [PDF]
Sci Rep, 2023 Okorie US +7 more
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The Mechanism of Visible‐Light Photochemical Rearrangements of Conjugated Amide Enolates
Chemistry – A European Journal, EarlyView.Visible light irradiation of extended enolates of N‐benzylamides leads to homolytic C─N Bond cleavage, generating a biradical. Computational and mechanistic studies suggest rapid radical recombination within a solvent cage to give either ring‐expanded or rearranged products. ABSTRACT Deprotonation of conjugated amides forms colored solutions of lithium
James Mortimer +3 more
wiley +1 more source
Spontaneous variability in gamma dynamics described by a damped harmonic oscillator driven by noise. [PDF]
Nat Commun, 2022 Spyropoulos G +12 more
europepmc +1 more source
Chemistry – A European Journal, EarlyView.Reactions of 10‐mesityl‐1,8‐diphenylanthracene with DDQ/TfOH produced three products via sequential formation of a five‐ or seven‐membered ring. Unexpectedly, the triply cyclized product with a rubicene substructure was formed through cyclization involving 1,2‐methyl shift.
Tatsuhiro Sasaki +2 more
wiley +1 more source
Collective nature of phonon energies beyond harmonic oscillators
Computational Materials TodayPhonon quasi-particles have been monumental in microscopically understanding thermodynamics and transport properties in condensed matter for decades. Phonons have one-to-one correspondence with harmonic eigenstates and their energies are often described ...
Jaeyun Moon, Leo Zella, Lucas Lindsay
doaj +1 more source
Noncommutative 3D harmonic oscillator
, 2002 We find transformation matrices allowing us to express a noncommutative three-dimensional harmonic oscillator in terms of an isotropic commutative oscillator, following the 'philosophy of simplicity' approach.
Anais Smailagic, SPALLUCCI, EURO
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