Valence States of Carbon in π‐Electron Systems. I. Alternant‐Hydrocarbon Ground States

1967 ◽  
Vol 47 (4) ◽  
pp. 1384-1392 ◽  
Author(s):  
Harris J. Silverstone ◽  
Hubert W. Joy
Keyword(s):  
Ground States ◽  
Electron Systems ◽  
Valence States ◽  
Alternant Hydrocarbon

Valence states of carbon in π-electron systems

1967 ◽  
Vol 13 (2) ◽  
pp. 149-156 ◽  
Author(s):  
Hubert W. Joy ◽  
Harris J. Silverstone
Keyword(s):  
Electron Systems ◽  
Valence States

Ground states in one-dimensional electron systems

1998 ◽  
Vol 168 (2) ◽  
pp. 188
Author(s):  
W. Hansen ◽  
D. Schmerek ◽  
C. Steinebach
Keyword(s):  
Ground States ◽  
Electron Systems ◽  
Dimensional Electron ◽  
One Dimensional

Ground states in one-dimensional electron systems

1998 ◽  
Vol 41 (2) ◽  
pp. 175-178
Author(s):  
W Hansen ◽  
D Schmerek ◽  
C Steinebach
Keyword(s):  
Ground States ◽  
Electron Systems ◽  
Dimensional Electron ◽  
One Dimensional

OPEN PROBLEMS IN HEAVY-ELECTRON SYSTEMS

1992 ◽  
Vol 06 (05n06) ◽  
pp. 473-496 ◽  
Author(s):  
H.R. Ott
Keyword(s):  
Chemical Composition ◽  
Fermi Liquid ◽  
Ground States ◽  
Theoretical Studies ◽  
Unconventional Superconductivity ◽  
Electron Systems ◽  
Many Body ◽  
Open Problems ◽  
Heavy Electron ◽  
Experimental And Theoretical Studies

Some of the outstanding and newly discovered features of heavy-electron systems are reviewed. Unconventional superconductivity, small-moment ordering, and possible non-Fermi-liquid behaviour are the most intriguing properties that deserve further experimental and theoretical studies because they touch upon important questions related with strong many-body effects in general. Possible ground states of these systems are strongly influenced by small variations of chemical composition or by mere lattice defects.

Application of MP2 Results in Comparative Studies of Semiempirical Ground-State Energies of Large Atoms

2003 ◽  
Vol 68 (2) ◽  
pp. 240-252 ◽  
Author(s):  
Jesus R. Flores ◽  
Karol Jankowski ◽  
Romuald Słupski
Keyword(s):  
Ground State ◽  
Comparative Studies ◽  
Ground States ◽  
Closed Shell ◽  
Second Order ◽  
Electron Systems ◽  
Total Correlation ◽  
Atomic Correlation ◽  
Moller Plesset ◽  
Ground State Energies

To study the usefulness of second-order Møller-Plesset (MP2) correlation energies for ground states of closed-shell atoms (referred to as MP2/CA energies) in estimations of the total correlation energies of larger closed-shell atoms, we have considered atoms and ions containing from 10 to 86 electrons. First, it is demonstrated that for N-electron systems, 10 ≤ N ≤ 18, the MP2/CA energies provide very good approximations to the very accurate estimates of atomic correlation energies by Chakravorty and Davidson. Next, for systems with 10 ≤ N ≤ 54, comparisons are made with the semiempirical energies obtained when using the models by Chakravorty and Clementi as well as by Clementi and Corongiu. Finally, for atoms with 10 ≤ N ≤ 86, the MP2/CA energies are employed for comparison with DFT energies recently obtained by Andrae et al. (Int. J. Quantum Chem. 2001, 82, 227). The MP2/CA results proved to provide reasonable estimates to the total correlation energies in all the cases considered.

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