scholarly journals Semiglobal diabatic potential energy matrix for the N–H photodissociation of methylamine

2020 ◽  
Vol 152 (24) ◽  
pp. 244309
Author(s):  
Kelsey A. Parker ◽  
Donald G. Truhlar
Keyword(s):  
Potential Energy ◽  
Energy Matrix ◽  
Potential Energy Matrix

scholarly journals Influence of the Pauli principle on two-cluster potential energy

2020 ◽  
Author(s):  
Yuliya Lashko ◽  
Victor S. Vasilevsky ◽  
Gennady F. Filippov
Keyword(s):  
Potential Energy ◽  
Energy Operator ◽  
Pauli Principle ◽  
Matrix Elements ◽  
Energy Matrix ◽  
Eigenvalues And Eigenfunctions ◽  
Cluster Systems ◽  
Potential Energy Matrix ◽  
The Matrix ◽  
Trapped States

We study effects of the Pauli principle on the potential energy of two-cluster systems. The object of the investigation is the lightest nuclei of p-shell with a dominant \boldsymbol{\alpha}𝛂-cluster channel. For this aim we construct matrix elements of two-cluster potential energy between cluster oscillator functions with and without full antisymmetrization. Eigenvalues and eigenfunctions of the potential energy matrix are studied in detail. Eigenfunctions of the potential energy operator are presented in oscillator, coordinate and momentum spaces. We demonstrate that the Pauli principle affects more strongly the eigenfunctions than the eigenvalues of the matrix and leads to the formation of resonance and trapped states.

scholarly journals An ab initio quasi-diabatic potential energy matrix for OH(2Σ) + H2

2011 ◽  
Vol 135 (23) ◽  
pp. 234307 ◽  
Author(s):  
Michael A. Collins ◽  
Oded Godsi ◽  
Shu Liu ◽  
Dong H. Zhang
Keyword(s):  
Potential Energy ◽  
Ab Initio ◽  
Energy Matrix ◽  
Potential Energy Matrix

scholarly journals Properties of a potential energy matrix in oscillator basis

2019 ◽  
Vol 409 ◽  
pp. 167930 ◽  
Author(s):  
Yu. A. Lashko ◽  
V.S. Vasilevsky ◽  
G.F. Filippov
Keyword(s):  
Potential Energy ◽  
Energy Matrix ◽  
Potential Energy Matrix ◽  
Oscillator Basis

On the construction of the potential energy matrix

1969 ◽  
Vol 30 (1-3) ◽  
pp. 310-316 ◽  
Author(s):  
B.S. Averbukh ◽  
L.S. Mayants ◽  
G.B. Shaltuper
Keyword(s):  
Potential Energy ◽  
Energy Matrix ◽  
Potential Energy Matrix
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