E-LIB Suche - Ergebnisse für: Davidson, Ernest R.

1

Rational approximations to pie: transcendental π and Euler'..:

Balasubramanian, Krishnan ; Davidson, Ernest R.
Journal of Mathematical Chemistry. 61 (2023) 7 - p. 1471-1476 , 2023

Link: https://doi.org/10.1007/..

2

Atomic isotropic hyperfine properties for first row element..:

Feller, David ; Stanton, John F. ; Davidson, Ernest R.
The Journal of Chemical Physics. 156 (2022) 3 - p. , 2022

Link: https://doi.org/10.1063/..

3

Atomic isotropic hyperfine properties for second row elemen..:

Feller, David ; Stanton, John F. ; Davidson, Ernest R.
The Journal of Chemical Physics. 157 (2022) 12 - p. , 2022

Link: https://doi.org/10.1063/..

4

Complete-active-space extended Koopmans theorem method:

Davidson, Ernest R. ; Ortiz, Joseph Vincent ; Staroverov, Viktor N.
The Journal of Chemical Physics. 155 (2021) 5 - p. , 2021

Link: https://doi.org/10.1063/..

5

A viewpoint on population analyses:

Davidson, Ernest R. ; Clark, Aurora E.
International Journal of Quantum Chemistry. 122 (2021) 8 - p. , 2021

Link: https://doi.org/10.1002/..

6

Publisher's Note: "Complete-active-space extended Koopmans ..:

Davidson, Ernest R. ; Ortiz, Joseph Vincent ; Staroverov, Viktor N.
The Journal of Chemical Physics. 155 (2021) 8 - p. , 2021

Link: https://doi.org/10.1063/..

7

A theoretical study of the adiabatic and vertical ionizatio..:

Feller, David ; Davidson, Ernest R.
The Journal of Chemical Physics. 148 (2018) 23 - p. , 2018

Link: https://doi.org/10.1063/..

8

Nature of ground and electronic excited states of higher ac..:

Yang, Yang ; Davidson, Ernest R. ; Yang, Weitao
Proceedings of the National Academy of Sciences of the United States of America. 113 (2016) 35 - p. E5098-E5107 , 2016

Link: https://www.jstor.org/st..

9

Nature of ground and electronic excited states of higher ac..:

Yang, Yang ; Davidson, Ernest R. ; Yang, Weitao
Proceedings of the National Academy of Sciences. 113 (2016) 35 - p. , 2016

Link: https://doi.org/10.1073/..

10

Approximate singly excited states from a two-component Hart..:

Goings, Joshua J. ; Ding, Feizhi ; Davidson, Ernest R..
The Journal of Chemical Physics. 143 (2015) 14 - p. , 2015

Link: https://doi.org/10.1063/..

11

Singlet–Triplet Energy Gaps for Diradicals from Particle–Pa..:

Yang, Yang ; Peng, Degao ; Davidson, Ernest R..
The Journal of Physical Chemistry A. 119 (2015) 20 - p. 4923-4932 , 2015

Link: https://doi.org/10.1021/..

12

Canonical form of the Hartree-Fock orbitals in open-shell s..:

Plakhutin, Boris N. ; Davidson, Ernest R.
The Journal of Chemical Physics. 140 (2014) 1 - p. , 2014

Link: https://doi.org/10.1063/..

13

A systematic approach to vertically excited states of ethyl..:

Feller, David ; Peterson, Kirk A. ; Davidson, Ernest R.
The Journal of Chemical Physics. 141 (2014) 10 - p. , 2014

Link: https://doi.org/10.1063/..

14

Linear inequalities for density matrices: IV Factorizations:

Davidson, Ernest R.
Computational and Theoretical Chemistry. 1003 (2013) - p. 28-31 , 2013

Link: https://doi.org/10.1016/..

15

Koopmans's theorem in the restricted open-shell Hartree–Foc..:

Davidson, Ernest R. ; Plakhutin, Boris N.
The Journal of Chemical Physics. 132 (2010) 18 - p. , 2010

Link: https://doi.org/10.1063/..