Zobrazeno 1 - 10
of 426
pro vyhledávání: '"Ortiz, J V"'
We investigate the numerical accuracy of the extended Koopmans's theorem (EKT) in reproducing the full configuration interaction (FCI) and complete active-space configuration interaction (CAS-CI) ionization energies (IEs) of atomic and molecular syst
Externí odkaz:
http://arxiv.org/abs/2406.19211
Using a general-order ab initio many-body Green's function method, we numerically illustrate several pathological behaviors of the Feynman-Dyson diagrammatic perturbation expansion of one-particle many-body Green's functions as electron Feynman propa
Externí odkaz:
http://arxiv.org/abs/2312.03157
We present an explicitly correlated formalism for the second-order single-particle Green's function method (GF2-F12) that does not assume the popular diagonal approximation, and describes the energy dependence of the explicitly correlated terms. For
Externí odkaz:
http://arxiv.org/abs/1708.06474
Publikováno v:
Journal of Chemical Physics; 9/28/2023, Vol. 159 Issue 12, p1-26, 26p
Publikováno v:
Journal of Physical Chemistry A; 8/29/2024, Vol. 128 Issue 34, p7311-7330, 20p
Publikováno v:
Journal of Physical Chemistry A; 6/13/2024, Vol. 128 Issue 23, p4730-4749, 20p
Publikováno v:
Physical Chemistry Chemical Physics (PCCP); 4/7/2024, Vol. 26 Issue 13, p9915-9930, 16p
Publikováno v:
The Journal of Physical Chemistry - Part A; June 2024, Vol. 128 Issue: 23 p4730-4749, 20p
Publikováno v:
Journal of Chemical Theory & Computation; 1/9/2024, Vol. 20 Issue 1, p290-306, 17p
Publikováno v:
Journal of Chemical Physics; 11/28/2021, Vol. 155 Issue 20, p1-17, 17p