Electric fields
^^^^^^^^^^^^^^^
-.. mdp:: electric-field-x ; electric-field-y ; electric-field-z
+.. mdp:: electric-field-x
+.. mdp:: electric-field-y
+.. mdp:: electric-field-z
Here you can specify an electric field that optionally can be
alternating and pulsed. The general expression for the field
has the form of a gaussian laser pulse:
- E(t) = E0 exp ( -(t-t0)\ :sup:`2`/(2 sigma\ :sup:`2`) ) cos(omega (t-t0))
+ .. math:: E(t) = E_0 \exp\left[-\frac{(t-t_0)^2}{2\sigma^2}\right]\cos\left[\omega (t-t_0)\right]
For example, the four parameters for direction x are set in the
- three fields of ``electric-field-x`` (and similar for y and z)
- like
+ fields of :mdp:`electric-field-x` (and similar for ``electric-field-y``
+ and ``electric-field-z``) like
- electric-field-x = E0 omega t0 sigma
+ ``electric-field-x = E0 omega t0 sigma``
- In the special case that sigma = 0, the exponential term is omitted
- and only the cosine term is used. If also omega = 0 a static
- electric field is applied.
+ with units (respectively) V nm\ :sup:`-1`, ps\ :sup:`-1`, ps, ps.
- More details in Carl Caleman and David van der Spoel: Picosecond
- Melting of Ice by an Infrared Laser Pulse - A Simulation Study.
- Angew. Chem. Intl. Ed. 47 pp. 14 17-1420 (2008)
+ In the special case that ``sigma = 0``, the exponential term is omitted
+ and only the cosine term is used. If also ``omega = 0`` a static
+ electric field is applied.
+ Read more at :ref:`electric fields` and in ref. \ :ref:`146 <refCaleman2008a>`.
Mixed quantum/classical molecular dynamics