Gaussian
E645120
Gaussian is a widely used computational chemistry software package that performs electronic structure calculations, including density functional theory, for molecules and materials.
All labels observed (2)
| Label | Occurrences |
|---|---|
| Gaussian canonical | 2 |
| Gaussian User’s Reference | 1 |
How this entity was disambiguated
This entity first appeared as the object of triple T7150634 — resolving that mention is where its identity was fixed. The disambiguator weighed these candidate entities and picked the highlighted one (or “None”, minting a new entity). This is how homonymy is resolved: the same surface form can point to different entities.
NED1
Entity disambiguation (via context triple)
gpt-5-mini-2025-08-07
Target entity: Gaussian Context triple: [density functional theory, implementedIn, Gaussian]
-
A.
Gaussian distribution
The Gaussian distribution, also known as the normal distribution, is a fundamental continuous probability distribution characterized by its symmetric bell-shaped curve and central role in statistics and the natural sciences.
-
B.
gauss
The gauss is a unit of magnetic flux density in the centimeter–gram–second (CGS) system, commonly used in physics to measure the strength of magnetic fields.
-
C.
Gumbel
Gumbel is a surname most notably associated with American sportscaster Greg Gumbel.
-
D.
Gaussian integral
The Gaussian integral is a fundamental result in mathematics that evaluates the integral of the exponential of a negative quadratic function over the entire real line, yielding a value proportional to the square root of π and underpinning the normal distribution in probability theory.
-
E.
Laplace distribution
The Laplace distribution is a continuous probability distribution with a sharp peak at its mean and heavier tails than the normal distribution, often used to model data with abrupt changes or outliers.
- F. None of above. chosen
- G. Unsure - the case is ambiguous/there is not enough information to decide.
NED2
Entity disambiguation (via description)
gpt-5-mini-2025-08-07
Target entity: Gaussian Target entity description: Gaussian is a widely used computational chemistry software package that performs electronic structure calculations, including density functional theory, for molecules and materials.
-
A.
Gaussian distribution
The Gaussian distribution, also known as the normal distribution, is a fundamental continuous probability distribution characterized by its symmetric bell-shaped curve and central role in statistics and the natural sciences.
-
B.
gauss
The gauss is a unit of magnetic flux density in the centimeter–gram–second (CGS) system, commonly used in physics to measure the strength of magnetic fields.
-
C.
Gumbel
Gumbel is a surname most notably associated with American sportscaster Greg Gumbel.
-
D.
Gaussian integral
The Gaussian integral is a fundamental result in mathematics that evaluates the integral of the exponential of a negative quadratic function over the entire real line, yielding a value proportional to the square root of π and underpinning the normal distribution in probability theory.
-
E.
Laplace distribution
The Laplace distribution is a continuous probability distribution with a sharp peak at its mean and heavier tails than the normal distribution, often used to model data with abrupt changes or outliers.
- F. None of above. chosen
Statements (50)
| Predicate | Object |
|---|---|
| instanceOf |
computational chemistry software
ⓘ
electronic structure program ⓘ quantum chemistry software ⓘ |
| commercial | true ⓘ |
| developer | Gaussian, Inc. ⓘ |
| field |
quantum chemistry
ⓘ
theoretical chemistry ⓘ |
| hasCreator | John Pople ⓘ |
| hasInputFormat | Gaussian input file ⓘ |
| hasManual |
Gaussian User’s Reference
ⓘ
linked to:
Gaussian
|
| hasOutputFormat |
Gaussian formatted checkpoint file
ⓘ
Gaussian log file ⓘ |
| license | proprietary ⓘ |
| namedAfter | Carl Friedrich Gauss ⓘ |
| notableVersion |
Gaussian 09
ⓘ
linked to:
Gaussian computational chemistry program
Gaussian 16 ⓘ
linked to:
Gaussian computational chemistry program
|
| programmingLanguage | Fortran ⓘ |
| supportsBasisSet |
Gaussian-type orbital basis sets
ⓘ
Pople basis sets ⓘ
linked to:
Pople basis sets (e.g., 6-31G)
correlation-consistent basis sets ⓘ |
| supportsCalculation |
excited states
ⓘ
geometry optimization ⓘ molecular properties ⓘ transition state search ⓘ vibrational frequency analysis ⓘ |
| supportsFeature |
NMR property calculations
ⓘ
QM/MM calculations ⓘ intrinsic reaction coordinate calculations ⓘ population analysis ⓘ reaction path following ⓘ solvent models ⓘ |
| supportsMethod |
Hartree–Fock
ⓘ
linked to:
Hartree–Fock method
Møller–Plesset perturbation theory ⓘ configuration interaction ⓘ coupled-cluster theory ⓘ density functional theory ⓘ semi-empirical methods ⓘ time-dependent density functional theory ⓘ |
| supportsPlatform |
Linux
ⓘ
Windows ⓘ macOS ⓘ |
| supportsSystem |
materials
ⓘ
molecules ⓘ periodic systems ⓘ |
| typicalUsers |
chemists
ⓘ
computational scientists ⓘ materials scientists ⓘ |
| usedIn |
computational chemistry research
ⓘ
materials science research ⓘ pharmaceutical research ⓘ |
How these facts were elicited
The pipeline generated the facts above by prompting gpt-5.1 with this entity's name + description and the instruction below.
Instruction
You are a knowledge base construction expert. Given a subject entity and a description of it, return factual statements that you know for the subject as a JSON list of dictionaries(triples), where keys must be "subject", "predicate" and "object". The number of facts may be very high, between 25 to 50 or more, for very popular subjects. For less popular subjects, the number of facts can be very low, like 5 or 10. # Requirements - If you don't know the subject at all, return an empty list. - If the subject is not a named entity, return an empty list. - Include at least one triple where predicate is "instanceOf". - Do not get too wordy. - Separate several objects into multiple triples with one object.
Input
Subject: Gaussian Description of subject: Gaussian is a widely used computational chemistry software package that performs electronic structure calculations, including density functional theory, for molecules and materials.
Referenced by (3)
Full triples — surface form annotated when it differs from this entity's canonical label.