Results 151 to 160 of about 5,285,566 (268)

Spectroscopic Investigation of Thioacrolein by Variational and Perturbational Approaches

Journal of Computational Chemistry, Volume 47, Issue 10, 15 April 2026.
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

Aromaticity‐Induced Spin State Switching and High‐Spin States in Non‐Alternant Polyradicals

Journal of Computational Chemistry, Volume 47, Issue 10, 15 April 2026.
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, Ibério de P. R. Moreira, Jordi Poater, Josep Maria Bofill   +3 more
wiley   +1 more source

On energy and particle production in cosmology: the particular case of the gravitino

Journal of High Energy Physics
It is well-known that the number of particles produced in cosmology, commonly defined in the literature from the Fock space of the instantaneous hamiltonian of the canonically normalized fields, is ambiguous.
Gabriele Casagrande, Emilian Dudas, Marco Peloso   +2 more
doaj   +1 more source

Fock-Space Coupled Cluster Theory: Systematic Study of Partial Fourth Order Triples Schemes for Ionization Potential and Comparison with Bondonic Formalism. [PDF]

Int J Mol Sci, 2020
Basumallick S, Pal S, Putz MV.
europepmc   +1 more source

Generalized Gram–Hadamard inequality

Journal of Inequalities and Applications, 1998
We generalize the classical Gram determinant inequality. Our generalization follows from the boundedness of the antisymmetric tensor product operator. We use fermionic Fock space methods.
Scharf Günter, Constantinescu Florin   +1 more
doaj  

Lie algebras in Fock space

, 2000
A catalogue of explicit realizations of representations of (super) Lie algebras and quantum algebras in Fock space is presented.
openaire   +2 more sources

Riemannian optimization of photonic quantum circuits in phase and Fock space

SciPost Physics
We propose a framework to design and optimize generic photonic quantum circuits composed of Gaussian objects (pure and mixed Gaussian states, Gaussian unitaries, Gaussian channels, Gaussian measurements) as well as non-Gaussian effects such as photon ...
Yuan Yao, Filippo Miatto, Nicolás Quesada
doaj   +1 more source

The semiclassical propagator in Fock space: dynamical echo and many-body interference. [PDF]

Philos Trans A Math Phys Eng Sci, 2016
Engl T, Urbina JD, Richter K.
europepmc   +1 more source

Multireference Fock Space Coupled-Cluster Method for the (3,0) Sector. [PDF]

J Phys Chem A
Musial M, Kucharski SA.
europepmc   +1 more source

Fock Space Coupled-Cluster Method for the Ground and Excited States of the NaMg⁺ Molecular Cation. [PDF]

J Phys Chem A
Skrzyński G, Musial M.
europepmc   +1 more source