A self‐consistent microscopic theory of hydrogen bond melting with application to poly(dG)⋅poly(dC)

1984 ◽  
Vol 80 (12) ◽  
pp. 6291-6298 ◽  
Author(s):  
Y. Gao ◽  
K. V. Devi‐Prasad ◽  
E. W. Prohofsky
Keyword(s):  
Hydrogen Bond ◽  
Microscopic Theory ◽  
Self Consistent

scholarly journals Self-consistent microscopic theory of surface superconductivity

1995 ◽  
Vol 51 (17) ◽  
pp. 11728-11732 ◽  
Author(s):  
Robert J. Troy ◽  
Alan T. Dorsey
Keyword(s):  
Microscopic Theory ◽  
Surface Superconductivity ◽  
Self Consistent

Ab initio self-consistent field calculations of lithium atom insertion into a carbon-hydrogen bond of methane

1984 ◽  
Vol 88 (13) ◽  
pp. 2898-2902 ◽  
Author(s):  
John G. McCaffrey ◽  
Raymond A. Poirier ◽  
Geoffrey A. Ozin ◽  
Imre G. Csizmadia
Keyword(s):  
Hydrogen Bond ◽  
Ab Initio ◽  
Lithium Atom ◽  
Consistent Field ◽  
Self Consistent ◽  
Self Consistent Field

On the validity of a hydrodynamic description of laser-driven fusion

1980 ◽  
Vol 23 (2) ◽  
pp. 357-381 ◽  
Author(s):  
D. N. Lowy ◽  
H. J. Kreuzer
Keyword(s):  
Linear Response ◽  
Microscopic Theory ◽  
Linear Response Theory ◽  
Hydrodynamic Theory ◽  
Low Temperature Plasma ◽  
Plasma Region ◽  
Temperature Plasma ◽  
Hydrodynamic Description ◽  
Self Consistent ◽  
Hydrodynamic Calculations

The validity of hydrodynamic approximations for non-equilibrium plasmas is examined, with emphasis on applications to laser-driven fusion pellets. Typical density–temperature trajectories of such pellets, as predicted by hydrodynamic calculations in the published literature, are shown to lie sometimes outside the region of validity of hydrodynamic theory, which is an unsatisfactory situation. In view of this, we discuss certain criteria which can be easily used to test the self- consistent validity of any hydrodynamic result. Finally, it is noted that in the low-density, low-temperature plasma region, hydrodynamics initially breaks down because of a breakdown in conventional microscopic linear response theory. A modified microscopic theory is proposed which continues to be valid in this region. This may correspondingly extend the validity of hydrodynamics to plasmas of somewhat lower temperatures and densities.

Self-consistent phonon approaches for the hydrogen bond chain

1997 ◽  
Vol 55 (4) ◽  
pp. 4531-4535 ◽  
Author(s):  
Yong-li Zhang ◽  
Wei-Mou Zheng
Keyword(s):  
Hydrogen Bond ◽  
Self Consistent ◽  
Bond Chain

THE MICROSCOPIC THEORY OF THE SURFACE PROPERTIES OF ANHARMONIC CRYSTALS II: The (110) and (111) Surface of BCC Crystal

1992 ◽  
Vol 06 (02) ◽  
pp. 221-249 ◽  
Author(s):  
V. I. ZUBOV ◽  
I. V. MAMONTOV
Keyword(s):  
Surface Properties ◽  
Microscopic Theory ◽  
Lattice Relaxation ◽  
Field Method ◽  
Nearest Neighbour ◽  
Consistent Field ◽  
Long Range Interactions ◽  
Self Consistent ◽  
Atomic Vibrations ◽  
Self Consistent Field

The correlative unsymmetrized self-consistent field method developed in preceding works is used to study the structural, dynamical, and thermodynamic properties of the (110) and (111) faces of the anharmonic BCC crystal. The character of the lattice relaxation near the (110) surface is similar to that near the (001) face investigated in Part I. There is strong anisotropy in the atomic vibrations near the (110) surface and in its thermodynamic functions. Near the (111) face the lattice relaxation decreases gradually, with oscillations occurring in the interplanar distances. It should be emphasized that such results are obtained when the nearest-neighbour interactions are taken into account. Unlike the (001) face, the surface tensions of the faces considered are negative. The effect of the long-range interactions are studied. In the preceding papers1–7 the correlative unsymmetrized self-consistent field method (CUSF) has been developed to investigate the structural, dynamical, and thermodynamic surface properties of anharharmonic crystals. In the first part of this work7 (to be referred to as I), the (001) faces of BCC crystals have been studied taking into account the nearest-neighbour interactions. Here we shall calculate the properties of other singular surfaces of such crystals.

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