Constrained optimized potential method and second-order correlation energy for excited states

2007 ◽  
Vol 107 (14) ◽  
pp. 2604-2615 ◽  
Author(s):  
Vitaly N. Glushkov ◽  
Nikitas Gidopoulos
Keyword(s):  
Excited States ◽  
Correlation Energy ◽  
Potential Method ◽  
Second Order

Embracing local suppression and enhancement of dynamic correlation effects in a CASΠDFT method for efficient description of excited states

2020 ◽  
Vol 224 ◽  
pp. 333-347
Author(s):  
Katarzyna Pernal ◽  
Oleg V. Gritsenko
Keyword(s):  
Excited States ◽  
Correlation Energy ◽  
Correlation Effects ◽  
Dynamic Correlation

In this work we show that the presence of covalent and ionic configurations in a wavefunction gives rise to spatial regions where the effects of suppression and enhancement of correlation energy, respectively, dominate.

QUANTUM REFLECTION, EVAPORATION, AND TRANSPORT CURRENTS AT 4He SURFACES

2006 ◽  
Vol 20 (30n31) ◽  
pp. 5047-5056
Author(s):  
V. APAJA ◽  
E. KROTSCHECK ◽  
A. RIMNAC ◽  
R. E. ZILLICH
Keyword(s):  
Excited States ◽  
Theoretical Study ◽  
Transport Phenomena ◽  
Microscopic Theory ◽  
Second Order ◽  
Quantum Liquid ◽  
Quantum Reflection ◽  
Quantum Liquids ◽  
Inhomogeneous Quantum

In this work, we study transport currents in excited states. This requires the calculation of particle currents [Formula: see text] to second order in the excitation amplitudes. For that purpose, we take a well-tested microscopic theory of inhomogeneous quantum liquids and extend it to find the mass currents created when atoms scatter off a surface or when excitations evaporate atoms. This is the first theoretical study of transport phenomena in a quantum liquid based on a quantitative microscopic theory.

Sum-Frequency Diffraction Loads on Tension-Leg Platforms in Bidirectional Waves

1997 ◽  
Vol 119 (1) ◽  
pp. 14-19
Author(s):  
J. H. Vazquez ◽  
A. N. Williams
Keyword(s):  
Numerical Technique ◽  
Diffraction Theory ◽  
Potential Method ◽  
Second Order ◽  
Surface Integral ◽  
Hydrodynamic Loads ◽  
Infinite Depth ◽  
Sum Frequency ◽  
Wave Directionality ◽  
Green Function Approach

Second-order diffraction theory is utilized to compute the sum-frequency diffraction loads on a deepwater tension-leg platform (TLP) in bidirectional waves. The linear diffraction solution is obtained utilizing a Green function approach using higher-order boundary elements. The second-order hydrodynamic loads explicitly due to the second-order potential are computed using the indirect, assisting radiation potential method. An efficient numerical technique is presented to treat the free-surface integral which appears in the second-order load formulation. Numerical results are presented for a stationary ISSC TLP in water of infinite depth. It is found that wave directionality may have a significant influence on the second-order hydrodynamic loads on a TLP and that the assumption of unidirectional waves does not always lead to conservative estimates of the sum-frequency loading.

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