Liquid theory for the instantaneous normal modes of a liquid. II. Solutions

Journal of Chemical Physics

Volumn 104, Issue 8, 1996, Pages 2987-3002

  Larsen, Ross E ^a   Goodyear, Grant ^a   Stratt, Richard M ^a  

^a BROWN UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0000780932     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.471120     Document Type: Article

References (88)

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72. The actual root search was performed on the equation obtained by subtracting both sides of Eq. (3.23) from X. Because the right-hand side is itself a function of λ-∑(λ), this modification saved a few complex additions and subtractions with each iteration. We should note that the root search occasionally converges to the unphysical branch of solutions, but this root can be made a physical root by changing the sign of ε, and multiplying Eq. (3.5) by a corresponding negative sign.
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