Ground States of Many‐Electron Systems

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.

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Gaussian-Basis Monte Carlo Method for Numerical Study on Ground States of Itinerant and Strongly Correlated Electron Systems

Journal of the Physical Society of Japan ◽

10.1143/jpsj.76.084709 ◽

2007 ◽

Vol 76 (8) ◽

pp. 084709 ◽

Cited By ~ 28

Author(s):

Takeshi Aimi ◽

Masatoshi Imada

Keyword(s):

Monte Carlo ◽

Monte Carlo Method ◽

Numerical Study ◽

Ground States ◽

Strongly Correlated Electron Systems ◽

Strongly Correlated ◽

Electron Systems ◽

Strongly Correlated Electron ◽

Correlated Electron Systems ◽

Correlated Electron

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

Collection of Czechoslovak Chemical Communications ◽

10.1135/cccc20030240 ◽

2003 ◽

Vol 68 (2) ◽

pp. 240-252 ◽

Cited By ~ 10

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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