1549380323-Statistical Mechanics Theory and Molecular Simulation

(jair2018) #1

668 Trotter theorem


(
PˆhQˆh− 1

)


ψ=h

(


Aˆ+Bˆ


)


ψ+O(h), (C.7)

whereO(h) denotes any vectorφsuch that


lim
h→ 0

||φ||
h

= 0. (C.8)


In other words,||x||goes to 0 faster thanhdoes. Note that we can also write


(
Rˆh− 1

)


ψ=h

(


Aˆ+Bˆ


)


ψ+O(h). (C.9)

Consequently, (


PˆhQˆh−Rˆh

)


ψ=O(h). (C.10)

Now leth=t/n. We need to show that








[(


PˆhQˆh

)n
−Rˆhn

]


ψ






∣→^0 (C.11)


asn→∞.
To see how this limit can be demonstrated, consider first the casen= 2. It is
straightforward to show that


(
PˆhQˆh

) 2


−Rˆ^2 h=

(


PˆhQˆh−Rˆh

)


Rˆh+PˆhQˆh

(


PˆhQˆh−Rˆh

)


. (C.12)


Likewise, forn= 3, a little algebra reveals that


(
PˆhQˆh

) 3


−Rˆ^3 h=

(


PˆhQˆh−Rˆh

)


Rˆ^2 h+PˆhQˆh

(


PˆhQˆh−Rˆh

)


Rˆh

+

(


PˆhQˆh

) 2 (


PˆhQˆh−Rˆh

)


. (C.13)


Generally, therefore,


(
PˆhQˆh

)n
−Rˆnh=

(


PˆhQˆh−Rˆh

)


Rˆ(n−1)h+PˆhQˆh

(


PˆhQˆh−Rˆh

)


Rˆ(n−2)h+···

+

(


PˆhQˆh

)n− 1 (
PˆhQˆh−Rˆh

)


. (C.14)


We now let the operators on the left and right sides of eqn. (C.14) act onψand take
the norm. This yields

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