LIST OF SYMBOLS xix T denotes matrix transpose 7.5.4) b denotes body-fixed variable (3.3.1) denotes space-fixed variable (3.3.1) Special conventions 7. gradient with respect to molecular positions 2.1) 。 gradient with respect to molecular momenta (2.1) d/dt total derivative with respect to time (2.1) 8/8t partial derivative with respect to time (2.1) i,ietc. single and double time derivatives (2.1) 〈..）trials MC trial or step-by-step average (4.2.2) (..〉me time average (2.1) 〈.）cns general ensemble average (2.1) (..）ne non-equilibrium ensemble average (8.1) 〈.〉w weighted average (7.2.2)