The iterative self-consistent reaction-field method: The refractive index of pure water

2010 ◽  
Vol 111 (4) ◽  
pp. 904-913 ◽  
Author(s):  
Kristian O. Sylvester-Hvid ◽  
Kurt V. Mikkelsen ◽  
Mark A. Ratner
Keyword(s):  
Refractive Index ◽  
Pure Water ◽  
Field Method ◽  
Reaction Field ◽  
Self Consistent

A multiconfigurational self‐consistent reaction‐field method

1988 ◽  
Vol 89 (5) ◽  
pp. 3086-3095 ◽  
Author(s):  
Kurt V. Mikkelsen ◽  
Hans Ågren ◽  
Hans Jo/rgen Aa. Jensen ◽  
Trygve Helgaker
Keyword(s):  
Field Method ◽  
Reaction Field ◽  
Self Consistent

A First Principles Approach for Partitioning Linear Response Properties into Additive and Cooperative Contributions

2018 ◽  
Author(s):  
Daniel Lambrecht ◽  
Eric Berquist
Keyword(s):  
First Principles ◽  
Linear Response ◽  
Building Blocks ◽  
Field Method ◽  
Response Property ◽  
Response Properties ◽  
Consistent Field ◽  
Molecular Building Blocks ◽  
Self Consistent ◽  
Self Consistent Field

We present a first principles approach for decomposing molecular linear response properties into orthogonal (additive) plus non-orthogonal/cooperative contributions. This approach enables one to 1) identify the contributions of molecular building blocks like functional groups or monomer units to a given response property and 2) quantify cooperativity between these contributions. In analogy to the self consistent field method for molecular interactions, SCF(MI), we term our approach LR(MI). The theory, implementation and pilot data are described in detail in the manuscript and supporting information.

scholarly journals Electrically Induced Liquid–Liquid Phase Transition in a Floating Water Bridge Identified by Refractive Index Variations

Water ◽  
2021 ◽  
Vol 13 (5) ◽  
pp. 602
Author(s):  
Elmar C. Fuchs ◽  
Jakob Woisetschläger ◽  
Adam D. Wexler ◽  
Rene Pecnik ◽  
Giuseppe Vitiello
Keyword(s):  
Phase Transition ◽  
Refractive Index ◽  
Liquid Phase ◽  
Pure Water ◽  
Resonance Effect ◽  
Water Bridge ◽  
Liquid Phase Transition ◽  
Light Passing ◽  
Floating Water Bridge ◽  
Set Up

A horizontal electrohydrodynamic (EHD) liquid bridge (also known as a “floating water bridge”) is a phenomenon that forms when high voltage DC (kV·cm−1) is applied to pure water in two separate beakers. The bridge, a free-floating connection between the beakers, acts as a cylindrical lens and refracts light. Using an interferometric set-up with a line pattern placed in the background of the bridge, the light passing through is split into a horizontally and a vertically polarized component which are both projected into the image space in front of the bridge with a small vertical offset (shear). Apart from a 100 Hz waviness due to a resonance effect between the power supply and vortical structures at the onset of the bridge, spikes with an increased refractive index moving through the bridge were observed. These spikes can be explained by an electrically induced liquid–liquid phase transition in which the vibrational modes of the water molecules couple coherently.

Quantum mechanical computations on very large molecular systems: The local self-consistent field method

1994 ◽  
Vol 15 (3) ◽  
pp. 269-282 ◽  
Author(s):  
Vincent Théry ◽  
Daniel Rinaldi ◽  
Jean-Louis Rivail ◽  
Bernard Maigret ◽  
György G. Ferenczy
Keyword(s):  
Field Method ◽  
Quantum Mechanical ◽  
Molecular Systems ◽  
Consistent Field ◽  
Self Consistent ◽  
Self Consistent Field ◽  
Quantum Mechanical Computations
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