LIST OF SYMBOLS xvil $ instantaneous kinetic temperature 2.4) u(r) pseudo-potential (10.4) vr） pair potential (1.3.2) molecular velocity (2.7) velocity of molecule i relative to j (vi-vi) (3.6.1) V volume (1.2) r total potential energy (1.3.1) w(r) pair virial function 2.4) W weighting function (7.2.2) total virial function (2.4) Cartesian coordinate (1.3.1) x(r) pair hypervirial function (2.5 total hypervirial function (2.5) y Cartesian coordinate (1.3.1) im spherical harmonic function (2.6) Cartesian coordinate (1.3.1) charge (1.3.2) activity (4.6) i configuration integral (2.2) Greek alphabet 中 Cartesian component (x,y,z) (1.3.1) P thermal expansion coefficient (2.5) a underlying stochastic transition matrix (4.3) B Cartesian component (x,y,z) (1.3.1) B inverse temperature (1/kBT) (2.3) adiabatic compressibility (2.5) Br isothermal compressibility 2.5) y a general transport coefficient (2.7) Ys surface tension (11.2) Yv thermal pressure coefficient (2.5) Y angle between molecular axis vectors (2.6) point in phase space (2.1) 8(.) Dirac delta function (2.2) δt time step (3.2) 6ad deviation of/from ensemble average (2.3) energy parameter in pair potentials (1.3.2) Ei energy per molecule (2.7) e relative permittivity (dielectric constant) (5.5.2) Eo permittivity of free space (1.3.2) random number (G.3) 夕 shear viscosity (2.7 nv bulk viscosity (2.7) Euler angle (3.3.1) 8 bond bending angle (1.3.3) 0(x) unit step function (6.5.3) K inertia parameter (3.6.1)