Zobrazeno 1 - 10
of 32
pro vyhledávání: '"Keeper L. Sharkey"'
Publikováno v:
Physical Review B. 102
Metallic hydrogen is expected to exhibit remarkable physics. However, the pressures at which it is expected to be stable are extremely high relative to current experimental capabilities (static conditions). For practical (and terrestrial) significanc
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https://explore.openaire.eu/search/publication?articleId=doi_________::2ba136f1a5f6ea9f00630e7522e2a1b3
https://doi.org/10.1103/physrevb.102.224108
https://doi.org/10.1103/physrevb.102.224108
Acquire knowledge of quantum chemistry concepts, the postulates of quantum mechanics, and the foundations of quantum computing, and execute illustrations made with Python code, Qiskit, and open-source quantum chemistry packagesKey FeaturesBe at the f
Publikováno v:
Chemical Physics Letters. 779:138823
High-accuracy calculations are performed on the 1 D spectrum of beryllium with the use of all-electron explicitly correlated Gaussian (ECG) functions. In the first step, a nonrelativistic wave function is generated for each state with the ECG nonline
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https://explore.openaire.eu/search/publication?articleId=doi_________::e06f477f05c8913321cba59760dbdcd8
https://doi.org/10.1016/j.cplett.2021.138823
https://doi.org/10.1016/j.cplett.2021.138823
Publikováno v:
Molecular Physics. 119:e1925765
The recently implemented algorithm for calculating the leading relativistic corrections for D states of an atom with an arbitrary number of electrons is used to perform calculations of the lowest e...
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https://explore.openaire.eu/search/publication?articleId=doi_________::72f693f958d7c8c1b48f24fc80c15b05
https://doi.org/10.1080/00268976.2021.1925765
https://doi.org/10.1080/00268976.2021.1925765
Publikováno v:
Molecular Physics. 114:2052-2073
Average values of the interparticle distances for rovibrationally excited HD+ are calculated using a method where the Born–Oppenheimer (BO) approximation is not assumed. The difference between the proton–electron and deuteron–electron distances
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https://explore.openaire.eu/search/publication?articleId=doi_________::89d74bbeb5b0438ed73d53dd3df42ece
https://doi.org/10.1080/00268976.2016.1177666
https://doi.org/10.1080/00268976.2016.1177666
Publikováno v:
Chemical Physics Letters. 640:61-67
Direct variational calculations, where the Born–Oppenheimer (BO) approximation is not assumed, are performed for all 26 bound rovibrational states corresponding to the lowest rotational excitation (i.e. the N = 1 states) of the tritium molecule (T2
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https://explore.openaire.eu/search/publication?articleId=doi_________::332647cd1315722e960649d8d4736575
https://doi.org/10.1016/j.cplett.2015.10.017
https://doi.org/10.1016/j.cplett.2015.10.017
Publikováno v:
Chemical Physics Letters. 621:134-140
Direct variational calculations are performed for all bound rovibrational states of the H 2 + ion corresponding to the ground and first excited rotational levels (the N = 0 and N = 1 states). The Born–Oppenheimer (BO) approximation is not assumed i
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https://explore.openaire.eu/search/publication?articleId=doi_________::61db2e50aca7f78368fb260db77c47ad
https://doi.org/10.1016/j.cplett.2014.12.060
https://doi.org/10.1016/j.cplett.2014.12.060
Publikováno v:
Chemical Physics Letters. :254-258
Accurate variational nonrelativistic quantum-mechanical calculations are performed for the five lowest 1 D and four lowest 3 D states of the 9 Be isotope of the beryllium atom. All-electron explicitly correlated Gaussian (ECG) functions are used in t
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https://explore.openaire.eu/search/publication?articleId=doi_________::01994f4c9ce25e3a5892e17b59cf3bf4
https://doi.org/10.1016/j.cplett.2014.10.012
https://doi.org/10.1016/j.cplett.2014.10.012
Autor:
Ludwik Adamowicz, Keeper L. Sharkey
Publikováno v:
Molecular Physics. 112:805-808
Variational non-relativistic calculations are performed for the four lowest Rydberg 2F states (1s2nf, n = 4, … , 7) of the main isotope of the lithium atom (7Li). The finite-nuclear-mass approach is employed and the wave functions of the states are
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https://explore.openaire.eu/search/publication?articleId=doi_________::2ab3d6fa7e2a85edc4169f3052c69541
https://doi.org/10.1080/00268976.2013.863404
https://doi.org/10.1080/00268976.2013.863404
Publikováno v:
Chemical Reviews. 113:36-79
This paper is part of the 2012 Quantum Chemistry thematic issue. Sergiy Bubin,*,† Michele Pavanello,*,‡ Wei-Cheng Tung, Keeper L. Sharkey, and Ludwik Adamowicz* †Department of Physics and Astronomy, Vanderbilt University, Nashville, Tennessee 3
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https://doi.org/10.1021/cr200419d
https://doi.org/10.1021/cr200419d