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- Erik HolmstrÃ¶m, Nicolas Bock, +4 authors Duane C. Wallace
- Physical review. E, Statistical, nonlinear, andâ€¦
- 2009

It is possible in principle to probe the many-atom potential surface using density functional theory (DFT). This will allow us to apply DFT to the Hamiltonian formulation of atomic motion inâ€¦ (More)

- Giulia De Lorenzi-Venneri, Eric D. Chisolm, Duane C. Wallace
- Physical review. E, Statistical, nonlinear, andâ€¦
- 2008

A theoretical model for self-dynamic response is developed using vibration-transit theory, and is applied to liquid sodium at all wave vectors q from the hydrodynamic regime to the free particleâ€¦ (More)

- Duane C. Wallace, Giulia De Lorenzi-Venneri, Eric D. Chisolm
- Journal of physics. Condensed matter : anâ€¦
- 2016

V-T theory is constructed in the many-body Hamiltonian formulation, and is being developed as a novel approach to liquid dynamics theory. In this theory the liquid atomic motion consists of twoâ€¦ (More)

- Duane C. Wallace, Eric D. Chisolm, Giulia De Lorenzi-Venneri
- Journal of physics. Condensed matter : anâ€¦
- 2017

In V-T theory the atomic motion is harmonic vibrations in a liquid-specific potential energy valley, plus transits, which move the system rapidly among the multitude of such valleys. In its firstâ€¦ (More)

- Giulia De Lorenzi-Venneri, Duane C. Wallace
- The Journal of chemical physics
- 2005

The first goal of vibration-transit (V-T) theory was to construct a tractable approximate Hamiltonian from which the equilibrium thermodynamic properties of monatomic liquids can be calculated. Theâ€¦ (More)

- Giulia De Lorenzi-Venneri, Duane C. Wallace
- Physical review. E, Statistical, nonlinear, andâ€¦
- 2007

The first goal of vibration-transit theory is to be able to calculate from a tractable partition function and without adjustable parameters the thermodynamic properties of the elemental monatomicâ€¦ (More)

- Duane C. Wallace, Eric D. Chisolm, Nicolas Bock, Giulia De Lorenzi-Venneri
- Physical review. E, Statistical, nonlinear, andâ€¦
- 2010

In applying vibration-transit (V-T) theory of liquid dynamics to the thermodynamic properties of monatomic liquids, the point has been reached where an improved model is needed for the smallâ€¦ (More)

The first goal of Vibration-Transit (V-T) theory was to construct a tractable approximate Hamil-tonian from which the equilibrium thermodynamic properties of monatomic liquids can be calculated. Theâ€¦ (More)

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