potential energy profiles
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2019 ◽  
Vol 9 (21) ◽  
pp. 4534 ◽  
Author(s):  
Panagiotis Giounanlis ◽  
Elena Blokhina ◽  
Dirk Leipold ◽  
Robert Staszewski

CMOS technologies facilitate the possibility of implementing quantum logic in silicon. In this work, we discuss a minimalistic modelling of entangled photon communication in semiconductor qubits. We demonstrate that electrostatic actuation is sufficient to construct and control desired potential energy profiles along a Si quantum dot (QD) structure allowing the formation of position-based qubits. We further discuss a basic mathematical formalism to define the position-based qubits and their evolution under the presence of external driving fields. Then, based on Jaynes–Cummings–Hubbard formalism, we expand the model to include the description of the position-based qubits involving four energy states coupled with a cavity. We proceed with showing an anti-correlation between the various quantum states. Moreover, we simulate an example of a quantum trajectory as a result of transitions between the quantum states and we plot the emitted/absorbed photos in the system with time. Lastly, we examine the system of two coupled position-based qubits via a waveguide. We demonstrate a mechanism to achieve a dynamic interchange of information between these qubits over larger distances, exploiting both an electrostatic actuation/control of qubits and their photon communication. We define the entanglement entropy between two qubits and we find that their quantum states are in principle entangled.



2019 ◽  
Vol 21 (44) ◽  
pp. 24469-24477
Author(s):  
Isuru R. Ariyarathna ◽  
Evangelos Miliordos

Ground and excited states of ThCO and OThC isomers are studied with multi-reference configuration interaction and coupled cluster methods. The potential energy profiles connecting the states of the two nearly isoenergetic molecules are constructed.



RSC Advances ◽  
2015 ◽  
Vol 5 (118) ◽  
pp. 97619-97628 ◽  
Author(s):  
Reza Omidyan ◽  
Mohammad Salehi ◽  
Gholamhassan Azimi

CC2 potential energy profiles of the ground and excited states of the isoindole–pyridine complex along the proton transfer reaction coordinate are studied.





ChemInform ◽  
2010 ◽  
Vol 31 (13) ◽  
pp. no-no
Author(s):  
J. Bertran ◽  
A. Oliva ◽  
L. Rodriguez-Santiago ◽  
M. Sodupe


Author(s):  
Eduard Karpov

An efficient numerical Monte-Carlo method is proposed for the estimation of the entropic contribution to the elastic properties of cell protein and lipid chain biomolecules. Specific load-extension curves are obtained numerically for a group of molecules with degenerate potential energy profiles. Spread of the linear elastic regimes and dependence on the molecular weight and geometric parameters of the molecules are discussed.





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