cc: fix t1-eq

block-hczhai · Feb 21, 2024 · fbc29da · fbc29da
1 parent 8058786
commit fbc29da
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Showing 2 changed files with 2 additions and 2 deletions.
diff --git a/pyblock2/cc/gccsd.py b/pyblock2/cc/gccsd.py
@@ -63,7 +63,7 @@ def px(x):
 Z = P("") # zero
 
 def CommT(t, d): # commutator with t (at order d)
-    return lambda h, i: (1.0 / i) * (h ^ t).expand((d - i) * 4).simplify()
+    return lambda h, i: (1.0 / i) * (h ^ t).expand((d + 1 - i) * 4).simplify()
 
 def HBar(h, t, d): # exp(-t) h exp(t) (order d)
     return sum(itertools.accumulate([h, *range(1, d + 1)], CommT(t, d)), Z)

diff --git a/pyblock2/cc/uccsd.py b/pyblock2/cc/uccsd.py
@@ -84,7 +84,7 @@ def px(*xs):
 Z = P("") # zero
 
 def CommT(t, d): # commutator with t (at order d)
-    return lambda h, i: (1.0 / i) * (h ^ t).expand((d - i) * 4).simplify()
+    return lambda h, i: (1.0 / i) * (h ^ t).expand((d + 1 - i) * 4).simplify()
 
 def HBar(h, t, d): # exp(-t) h exp(t) (order d)
     return sum(itertools.accumulate([h, *range(1, d + 1)], CommT(t, d)), Z)