Table 2 Excitation energies in eV from different methods

From: Unleashed from constrained optimization: quantum computing for quantum chemistry employing generator coordinate inspired method

Molecule

Character of

EOMCC-

EOMCC-

ADAPT-

 

excited state

SD

SDT

GCIM

H4 (linear)

SD(1 excited)

12.738

12.555

12.565

H4 (square)

D (1 excited)

4.275

4.273

4.183

LiH

SD (1 excited)

3.588

3.586

3.586

BeH2

SD (3 excited)

15.558

14.563

14.545

H6 (1.0584 Å)

SD (1 excited)

9.846

9.386

9.477

H6 (1.8521 Å)

D (1 excited)

2.927

1.581

1.340

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