描述输入选项可用性相关关键词例子 Description...
DescriptionRelated Keywords Description This keyword restore the calculation defaults from Gaussian 09. It is equivalent to: Integral=(FineGrid,Acc2E=10) Constants=2006 SCRF=G09Defaults Related Keywords Integral, Constants, SCRF Last updated on: 20 October...
DescriptionOptionsExamples Description Energy transfer from a photoexcited donor molecule to a nearby ground-state acceptor molecule is a process of fundamental interest in many fields of science, including polymer photophysics, surface photochemistry, photochemical...
ObsoleteDeprecated Obsolete Features The following table lists obsolete keywords used by previous versions of Gaussian. Obsolete Keyword Replacement Keyword & Option Alter Guess=Alter BD-T BD(T) BeckeHalfandHalf BHandH Camp-King SCF=Camp-King CCSD-T CCSD(T)...
DescriptionOptionsAvailabilityRelated KeywordsExamples Description The CIS method keyword requests a calculation on excited states using single-excitation CI (CI-Singles) [Foresman92]. This implementation works for both closed-shell and open-shell systems. CIS jobs...
DescriptionParallel Job DirectivesEquivalenciesExamples Description This section lists all Link 0 commands, which are optional and precede the route section. Link 0 commands may be up to 500 characters in length. %Mem=N Sets the amount of dynamic memory used to N...
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