First-Principles Calculations Involving Two-Particle Excited States of Atoms and Molecules Using T-Matrix Theory

Nano- and Micromaterials - Advances in Materials Research ◽

10.1007/978-3-540-74557-0_7 ◽

2008 ◽

pp. 189-217

Author(s):

Y. Noguchi ◽

S. Ishii ◽

K. Ohno

Keyword(s):

Excited States ◽

First Principles ◽

Matrix Theory ◽

First Principles Calculations ◽

Atoms And Molecules ◽

T Matrix

First principles calculations of double ionization energy spectra and two-electron distribution function using T-matrix theory

Journal of Electron Spectroscopy and Related Phenomena ◽

10.1016/j.elspec.2006.11.025 ◽

2007 ◽

Vol 156-158 ◽

pp. 155-157 ◽

Cited By ~ 4

Author(s):

Yoshifumi Noguchi ◽

Soh Ishii ◽

Kaoru Ohno

Keyword(s):

Distribution Function ◽

First Principles ◽

Ionization Energy ◽

Electron Distribution ◽

Matrix Theory ◽

Electron Distribution Function ◽

Double Ionization ◽

Energy Spectra ◽

First Principles Calculations ◽

T Matrix

All-Electron First Principles Calculations of the Ground and Some Low-Lying Excited States of BaI

The Journal of Physical Chemistry A ◽

10.1021/jp0745788 ◽

2007 ◽

Vol 111 (39) ◽

pp. 10002-10009 ◽

Cited By ~ 4

Author(s):

Evangelos Miliordos ◽

Aristotle Papakondylis ◽

Athanasios A. Tsekouras ◽

Aristides Mavridis

Keyword(s):

Excited States ◽

First Principles ◽

First Principles Calculations

First-principles T-matrix calculations of double-ionization energy spectra of atoms and molecules

The Journal of Chemical Physics ◽

10.1063/1.2069907 ◽

2005 ◽

Vol 123 (14) ◽

pp. 144112 ◽

Cited By ~ 15

Author(s):

Yoshifumi Noguchi ◽

Yohei Kudo ◽

Soh Ishii ◽

Kaoru Ohno

Keyword(s):

First Principles ◽

Ionization Energy ◽

Double Ionization ◽

Energy Spectra ◽

Atoms And Molecules ◽

T Matrix

First-principles calculations for the tunnel ionization rate of atoms and molecules

Physical Review A ◽

10.1103/physreva.69.053404 ◽

2004 ◽

Vol 69 (5) ◽

Cited By ~ 54

Author(s):

T. Otobe ◽

K. Yabana ◽

J.-I. Iwata

Keyword(s):

First Principles ◽

Ionization Rate ◽

First Principles Calculations ◽

Tunnel Ionization ◽

Atoms And Molecules

First principles calculations of the double photoionization of atoms and molecules using B-splines and Exterior Complex Scaling

10.1063/1.2165633 ◽

2006 ◽

Author(s):

F. Martín

Keyword(s):

First Principles ◽

First Principles Calculations ◽

Complex Scaling ◽

B Splines ◽

Atoms And Molecules ◽

Double Photoionization ◽

Exterior Complex Scaling

All-Electron First Principles Calculations of the Ground and Some Low-Lying Excited States of BaI.

ChemInform ◽

10.1002/chin.200750003 ◽

2007 ◽

Vol 38 (50) ◽

Author(s):

Evangelos Miliordos ◽

Aristotle Papakondylis ◽

Athanasios A. Tsekouras ◽

Aristides Mavridis

Keyword(s):

Excited States ◽

First Principles ◽

First Principles Calculations

Two-electron distribution functions and short-range electron correlations of atoms and molecules by first principles T-matrix calculations

The Journal of Chemical Physics ◽

10.1063/1.2348879 ◽

2006 ◽

Vol 125 (11) ◽

pp. 114108 ◽

Cited By ~ 14

Author(s):

Yoshifumi Noguchi ◽

Soh Ishii ◽

Kaoru Ohno

Keyword(s):

First Principles ◽

Short Range ◽

Electron Distribution ◽

Distribution Functions ◽

Electron Correlations ◽

Atoms And Molecules ◽

T Matrix

Adsorption of atoms and molecules on s-triazine sheet with embedded manganese atom: First-principles calculations

Physics Letters A ◽

10.1016/j.physleta.2017.09.026 ◽

2017 ◽

Vol 381 (43) ◽

pp. 3664-3674 ◽

Cited By ~ 8

Author(s):

Yusuf Zuntu Abdullahi ◽

Yoon Tiem Leong ◽

Mohd Mahadi Halim ◽

Md. Roslan Hashim ◽

Lim Thong Leng ◽

...

Keyword(s):

First Principles ◽

Manganese Atom ◽

First Principles Calculations ◽

Atoms And Molecules

Electronic Excited States in Amorphous MEH-PPV Polymers from Large-Scale First Principles Calculations

Journal of Chemical Theory and Computation ◽

10.1021/ct4010799 ◽

2014 ◽

Vol 10 (3) ◽

pp. 1272-1282 ◽

Cited By ~ 23

Author(s):

Haibo Ma ◽

Ting Qin ◽

Alessandro Troisi

Keyword(s):

Excited States ◽

First Principles ◽

Large Scale ◽

First Principles Calculations ◽

Electronic Excited States

Fluorene-imidazole dyes excited states from first-principles calculations—Topological insights

Theoretical Chemistry Accounts ◽

10.1007/s00214-016-1866-0 ◽

2016 ◽

Vol 135 (4) ◽

Cited By ~ 13

Author(s):

Thibaud Etienne ◽

Hugo Gattuso ◽

Catherine Michaux ◽

Antonio Monari ◽

Xavier Assfeld ◽

...

Keyword(s):

Excited States ◽

First Principles ◽

First Principles Calculations