---
name: "sc_HCoreWfn"
section: "3"
platform: "linux"
package: "libsc-doc"
version: "2.3.1-22"
release: "Debian 12 (Bookworm)"
platforms: ["linux"]
url: "https://new.carta.tech/sc_HCoreWfn"
---

# sc\_HCoreWfn(3)

## NAME

sc::HCoreWfn

## SYNOPSIS

Inherits **sc::OneBodyWavefunction**.

### Public Member Functions

**HCoreWfn** (**StateIn** &)\
 **HCoreWfn** (const **Ref**\< **KeyVal** \> &)\
 void **save\_data\_state** (**StateOut** &)\
 Save the base classes (with save\_data\_state) and the members in the same order that the **StateIn** CTOR initializes them.  double **occupation** (int irrep, int vectornum)\
 Returns the occupation.  **RefSCMatrix** **oso\_eigenvectors** ()\
 Returns the orthogonal MO (columns) to orthogonal-SO (rows) transformation matrix.  **RefDiagSCMatrix** **eigenvalues** ()\
 Returns the MO basis eigenvalues.  **RefSymmSCMatrix** **density** ()\
 Returns the **SO** density.  int **spin\_polarized** ()\
 Return 1 if the alpha density is not equal to the beta density.  int **spin\_unrestricted** ()\
 Return 1 if the alpha orbitals are not equal to the beta orbitals.  int **value\_implemented** () const\
 Information about the availability of values, gradients, and hessians.

### Additional Inherited Members

## Member Function Documentation

### RefSymmSCMatrix sc::HCoreWfn::density ()` [virtual]`

Returns the **SO** density.

Implements **sc::Wavefunction**.

### RefDiagSCMatrix sc::HCoreWfn::eigenvalues ()` [virtual]`

Returns the MO basis eigenvalues.

Implements **sc::OneBodyWavefunction**.

### double sc::HCoreWfn::occupation (int irrep, int vectornum)` [virtual]`

Returns the occupation. The irreducible representation and the vector number within that representation are given as arguments.

Implements **sc::OneBodyWavefunction**.

### RefSCMatrix sc::HCoreWfn::oso\_eigenvectors ()` [virtual]`

Returns the orthogonal MO (columns) to orthogonal-SO (rows) transformation matrix.

Implements **sc::OneBodyWavefunction**.

### void sc::HCoreWfn::save\_data\_state (StateOut &)` [virtual]`

Save the base classes (with save\_data\_state) and the members in the same order that the **StateIn** CTOR initializes them. This must be implemented by the derived class if the class has data.

Reimplemented from **sc::OneBodyWavefunction**.

### int sc::HCoreWfn::spin\_polarized ()` [virtual]`

Return 1 if the alpha density is not equal to the beta density.

Implements **sc::Wavefunction**.

### int sc::HCoreWfn::spin\_unrestricted ()` [virtual]`

Return 1 if the alpha orbitals are not equal to the beta orbitals.

Implements **sc::OneBodyWavefunction**.

### int sc::HCoreWfn::value\_implemented () const` [virtual]`

Information about the availability of values, gradients, and hessians.

Reimplemented from **sc::Function**.

## Author

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