Zobrazeno 1 - 5
of 5
pro vyhledávání: '"Arghadip Koner"'
Publikováno v:
Proceedings of the National Academy of Sciences. 120
The study of molecular polaritons beyond simple quantum emitter ensemble models (e.g., Tavis–Cummings) is challenging due to the large dimensionality of these systems and the complex interplay of molecular electronic and nuclear degrees of freedom.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::a36c4fb2185f92215f59b117b909b7f7
https://doi.org/10.1073/pnas.2219223120
https://doi.org/10.1073/pnas.2219223120
Publikováno v:
Physical review. E. 103(6-1)
We propose a quantum Stirling heat engine with an ensemble of harmonic oscillators as the working medium. We show that the efficiency of the harmonic oscillator quantum Stirling heat engine (HO-QSHE) at a given frequency can be maximized at a specifi
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::d1721a6461dc2fce44aea5bf6f36e3a6
https://pubmed.ncbi.nlm.nih.gov/34271723
https://pubmed.ncbi.nlm.nih.gov/34271723
Publikováno v:
Molecular Physics. 116:2728-2735
The heat capacity of rare gas containing endohedral fullerenes has been computed by computing the vibrational frequencies of the molecules using the Hartree–Fock method and the density functional t...
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::f804fd90e2349209e5fc6d9dcdd69eea
https://doi.org/10.1080/00268976.2018.1463468
https://doi.org/10.1080/00268976.2018.1463468
Publikováno v:
Journal of Chemical Sciences. 131
The stabilizing effect of silicon substitution on sixteen different isomers of dibenzene $$(\hbox {C}_{{12}}\hbox {H}_{12})$$ has been investigated using second-order Moller-Plesset perturbation (MP2) theory and the cc-pVDZ basis set. While the most
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::92aa108b1f03bd78127cd0c7e0f31489
https://doi.org/10.1007/s12039-018-1576-3
https://doi.org/10.1007/s12039-018-1576-3
Publikováno v:
Chemical Physics Letters. 745:137251
The molar heat capacity of a carbon nanotube encapsulating rare gas atoms He, Ne, Ar and Kr is predicted using the vibrational frequency values computed by ab initio Hartree-Fock method and Density Functional Theoretic method using the M06-2X functio
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::7f333f099ce55f55bf3db3bdb2faf36d
https://doi.org/10.1016/j.cplett.2020.137251
https://doi.org/10.1016/j.cplett.2020.137251