On the contribution of higher-order excitations to correlation energies: The ground state of the water molecule

1979 ◽  
Vol 54 (1) ◽  
pp. 83-91 ◽  
Author(s):  
Stephen Wilson ◽  
David M. Silver
Keyword(s):  
Water Molecule ◽  
Ground State ◽  
Higher Order

scholarly journals A new ab initio ground-state dipole moment surface for the water molecule

2008 ◽  
Vol 128 (4) ◽  
pp. 044304 ◽  
Author(s):  
Lorenzo Lodi ◽  
Roman N. Tolchenov ◽  
Jonathan Tennyson ◽  
A. E. Lynas-Gray ◽  
Sergei V. Shirin ◽  
...  
Keyword(s):  
Dipole Moment ◽  
Water Molecule ◽  
Ab Initio ◽  
Ground State ◽  
Ground State Dipole Moment

Wave-number dependence of the static screening function of an interacting electron gas. II. Higher-order exchange and correlation effects

1970 ◽  
Vol 48 (2) ◽  
pp. 167-181 ◽  
Author(s):  
D. J. W. Geldart ◽  
Roger Taylor
Keyword(s):  
Density Dependence ◽  
Ground State ◽  
Electron Gas ◽  
Perturbation Expansion ◽  
Interpolation Formula ◽  
Higher Order ◽  
Wave Number ◽  
Correlation Effects ◽  
Many Body ◽  
Static Screening

An interpolation formula is suggested for the wave-number and density dependence of the static screening function for an interacting electron gas in its ground state. The approximate screening function simulates a number of properties of the exact screening function which have been established by analysis of its many-body perturbation expansion. The accuracy of the interpolation formula is discussed and is considered to be adequate for practical calculations in the range of intermediate metallic densities.

scholarly journals Frustrated order by disorder: The pyrochlore anti-ferromagnet with bond disorder

2001 ◽  
Vol 79 (11-12) ◽  
pp. 1365-1371 ◽  
Author(s):  
L Bellier-Castella ◽  
M JP Gingras ◽  
P CW Holdsworth ◽  
R Moessner
Keyword(s):  
Ground State ◽  
Energy Landscape ◽  
Matter Mater ◽  
Higher Order ◽  
The Other ◽  
Order Effects ◽  
Weak Bond ◽  
Ground State Degeneracy ◽  
Higher Order Effects ◽  
Substantial Degree

The classical Heisenberg anti-ferromagnet on the pyrochlore lattice is macroscopically and continuously degenerate and the system remains disordered at all temperatures, even in the presence of weak dilution with nonmagnetic ions. We show that, in contrast, weak-bond disorder lifts the ground-state degeneracy in favour of locally collinear spin configurations. We present a proof that for a single tetrahedron the ground state is perfectly collinear but identify two mechanisms that preclude the establishment of a globally collinear state; one due to frustration and the other due to higher order effects. We thus obtain a rugged energy landscape, which is necessary to account for the glassy phenomena found in real systems such as the pyrochlore Y2Mo2O7 recently reported by Booth et al. (Phys. Rev. B: Condens. Matter Mater. Phys. 62, R755 (2000).) to contain a substantial degree of bond disorder. PACS Nos.: 75.10.Hk, 75.40.Mg, 75.40.Gb

Dependence upon the molecular and atomic ground state of higher-order harmonic generation in the few-optical-cycle regime

2005 ◽  
Vol 71 (1) ◽  
Author(s):  
C. Altucci ◽  
R. Velotta ◽  
J. P. Marangos ◽  
E. Heesel ◽  
E. Springate ◽  
...  
Keyword(s):  
Harmonic Generation ◽  
Ground State ◽  
Higher Order ◽  
Atomic Ground State ◽  
Optical Cycle

Improved estimates of the total correlation energy in the ground state of the water molecule

1997 ◽  
Vol 106 (18) ◽  
pp. 7706-7708 ◽  
Author(s):  
Arne Lüchow ◽  
James B. Anderson ◽  
David Feller
Keyword(s):  
Water Molecule ◽  
Ground State ◽  
Correlation Energy ◽  
Total Correlation
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