Results 101 to 110 of about 31,317 (214)
Heat and Laplace type equations with complex spatial variables in weighted Fock spaces
In a recent book co-authored by the authors of this article, we studied by semigroup theory methods several classical evolution equations, including the heat and Laplace equations, with real time variable and complex spatial variable, under the ...
Ciprian G. Gal, Sorin G. Gal
doaj
Comprehensive Modeling of Acetone Clusters: QTAIM Analysis and QCE Study
A multiscale DFT‐QTAIM‐QCE approach links acetone cluster interactions to liquid‐phase behavior. Macroscopic thermodynamic and IR properties emerge from a dynamic equilibrium of small clusters. ABSTRACT In molecular research, comprehending the microscopic source of the macroscopic characteristics of polar aprotic solvents continues to be a significant ...
Juda Baikété +2 more
wiley +1 more source
The Mehler-Fock Transform in Signal Processing
Many signals can be described as functions on the unit disk (ball). In the framework of group representations it is well-known how to construct Hilbert-spaces containing these functions that have the groups SU(1,N) as their symmetry groups.
Reiner Lenz
doaj +1 more source
The energetics of the addition reaction of P‐centered radicals onto alkenes are primarily ruled by the stability of the attacking radical, as outlined by the computational screening of a wide range of reactions. In addition, donor‐acceptor substituents at the olefin have an important tuning role.
Meng Yang +2 more
wiley +1 more source
A Special Class of Infinite Dimensional Dirac Operators on the Abstract Boson-Fermion Fock Space
Spectral properties of a special class of infinite dimensional Dirac operators Q(α) on the abstract boson-fermion Fock space ℱ(ℋ,𝒦) associated with the pair (ℋ,𝒦) of complex Hilbert spaces are investigated, where α∈C is a perturbation parameter (a ...
Asao Arai
doaj +1 more source
ABSTRACT Molecules that violate Hund's rule by exhibiting an inverted singlet–triplet gap (STG), where the first excited singlet (S1${\rm S}_1$) lies below the triplet (T1${\rm T}_1$), are rare but hold great promise as efficient fifth‐generation light emitters.
Atreyee Majumdar +1 more
wiley +1 more source
Spectroscopic Investigation of Thioacrolein by Variational and Perturbational Approaches
The vibrational and rotational spectra of trans and cis‐thioacrolein were studied by high levels of electronic and vibrational structure theory. Comparisons with experimental results are provided for several molecular quantities. ABSTRACT The vibrational spectra of trans and cis‐thioacrolein have been studied by 2nd order vibrational perturbation ...
Guntram Rauhut
wiley +1 more source
Instanton R-matrix and W $$ \mathcal{W} $$ -symmetry
We study the relation between W 1 + ∞ $$ {\mathcal{W}}_{1+\infty } $$ algebra and Arbesfeld-Schiffmann Tsymbaliuk Yangian using the Maulik-Okounkov R-matrix. The central object linking these two pictures is the Miura transformation. Using the results of
Tomáš Procházka
doaj +1 more source
Aromaticity‐Induced Spin State Switching and High‐Spin States in Non‐Alternant Polyradicals
The peculiar topology of some non‐alternant systems allows such a degree of freedom in favored spin‐alignment between unpaired electrons that the polyradical can be in low‐, intermediate‐, and high‐spin ground state. Thus, the modulation of resonance energy upon distortions of pro‐aromatic units via external stimuli may result in switching the lowest ...
Sergi Betkhoshvili +3 more
wiley +1 more source
Collective theory at finite-N: reduction of the emergent Hilbert space
Continuing the formulation of finite N Hilbert spaces in emergent theories we study in this work S N symmetric collective models. For the case of N bosons in d dimensions, which map to matrix models with commuting matrices, we describe a complete ...
Robert de Mello Koch +3 more
doaj +1 more source

