scholarly journals A Unified Hamiltonian Formalism of Jahn-Teller and Pseudo-Jahn-Teller Problems in Axial Symmetries

2021 ◽  
Author(s):  
James Brown ◽  
Robert Lang ◽  
Tao Zeng
Keyword(s):  
Arbitrary Number ◽  
Quantum Dynamics ◽  
Hamiltonian Formalism ◽  
High Order ◽  
Dynamics Simulation ◽  
Simulation Program ◽  
Jahn Teller ◽  
User Friendly ◽  
Hamiltonian Operators

A formalism for expansions of all Jahn-Teller and pseudo-Jahn-Teller Hamiltonian operators in all axial symmetries is presented. The formalism provides Hamiltonian expansions up to arbitrarily high order and including an arbitrary number of vibra?tional modes, which are of arbitrary types. It consists of three equations and two tables. The formalism is user-friendly since it can be used without understanding its derivation. An example of E00 3 ⊗ e 0 1 Jahn-Teller interaction of cycloheptatrienyl cation is used to demonstrate the correctness of the formalism. A Python program is devel?oped to automate the generation of Hamiltonian expansions for all axial Jahn-Teller and pseodo-Jahn-Teller problems, , and interface the expansions to quantum dynamics simulation program. This is the first unified Hamiltonian formalism for axial Jahn?Teller and pseudo-Jahn-Teller problems. And it is the only one.

scholarly journals A Unified Hamiltonian Formalism of Jahn-Teller and Pseudo-Jahn-Teller Problems in Axial Symmetries

2021 ◽  
Author(s):  
James Brown ◽  
Robert Lang ◽  
Tao Zeng
Keyword(s):  
Arbitrary Number ◽  
Quantum Dynamics ◽  
Hamiltonian Formalism ◽  
High Order ◽  
Dynamics Simulation ◽  
Simulation Program ◽  
Jahn Teller ◽  
User Friendly ◽  
Hamiltonian Operators

A formalism for expansions of all Jahn-Teller and pseudo-Jahn-Teller Hamiltonian operators in all axial symmetries is presented. The formalism provides Hamiltonian expansions up to arbitrarily high order and including an arbitrary number of vibra?tional modes, which are of arbitrary types. It consists of three equations and two tables. The formalism is user-friendly since it can be used without understanding its derivation. An example of E00 3 ⊗ e 0 1 Jahn-Teller interaction of cycloheptatrienyl cation is used to demonstrate the correctness of the formalism. A Python program is devel?oped to automate the generation of Hamiltonian expansions for all axial Jahn-Teller and pseodo-Jahn-Teller problems, , and interface the expansions to quantum dynamics simulation program. This is the first unified Hamiltonian formalism for axial Jahn?Teller and pseudo-Jahn-Teller problems. And it is the only one.

scholarly journals Hamiltonian formalism of spin–orbit Jahn–Teller and pseudo-Jahn–Teller problems in trigonal and tetragonal symmetries

2019 ◽  
Vol 21 (35) ◽  
pp. 18939-18957 ◽  
Author(s):  
Kun Wang ◽  
Tao Zeng
Keyword(s):  
Hamiltonian Formalism ◽  
Spin Orbit ◽  
Jahn Teller ◽  
Hamiltonian Operators

A formalism for expansions of all bimodal spin–orbit Jahn–Teller and pseudo-Jahn–Teller Hamiltonian operators in trigonal and tetragonal symmetries is presented.

scholarly journals Pension Payment as A Critical Infrastructure

2018 ◽  
Vol 9 (1) ◽  
pp. 219-222
Author(s):  
Attila Szántó ◽  
Gusztáv Áron Szíki ◽  
Sándor Hajdu ◽  
András Gábora ◽  
Kristóf Balázs Sipos
Keyword(s):  
Vehicle Dynamics ◽  
Critical Infrastructure ◽  
Dynamics Simulation ◽  
Simulation Program ◽  
Technical Data ◽  
The University ◽  
Race Cars ◽  
Pension Payment

Abstract In the following the role and contribution of vehicle dynamics simulation to the development of race cars at the Faculty of Engineering of the University of Debrecen is presented. The application of the developed simulation program for the optimization of the car’s technical data, together with the principle and method of optimization, is also described here.

AGRISIM: A PC User-friendly Transient Simulation Program for Growing-finishing Swine Buildings

1994 ◽  
Vol 10 (5) ◽  
pp. 735-738 ◽  
Author(s):  
P. Axaopoulos ◽  
P. Panagakis ◽  
G. Pitsilis ◽  
S. Kyritsis
Keyword(s):  
Transient Simulation ◽  
Simulation Program ◽  
User Friendly
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