LiH Hamiltonian

Here is the Hamiltonian for LiH needed to solve the Hamiltonian Simulation Problem:

0.003034656830204855 * IIIYYIIIYY 

+  0.003034656830204855 * IIIXXIIIYY

+ 0.003034656830204855 * IIIYYIIIXX

+ 0.003034656830204855 * IIIXXIIIXX

- 0.008373361424264817 * YZZZYIIIYY

- 0.008373361424264817 * XZZZXIIIYY

- 0.008373361424264817 * YZZZYIIIXX

- 0.008373361424264817 * XZZZXIIIXX

+ 0.00211113766859809 * YZZYIIIIYY

+ 0.00211113766859809 * XZZXIIIIYY

+ 0.00211113766859809 * YZZYIIIIXX

+ 0.00211113766859809 * XZZXIIIIXX

- 0.00491756976241806 * IIIIIIIIYY

- 0.00491756976241806 * IIIIIIIIXX

+ 0.010540187409026488 * ZIIIIIIIYY

+ 0.010540187409026488 * ZIIIIIIIXX

- 0.0011822832324725804 * IZIIIIIIYY

- 0.0011822832324725804 * IZIIIIIIXX

- 0.0011822832324725804 * IIZIIIIIYY

- 0.0011822832324725804 * IIZIIIIIXX

- 0.00154067008970742 * IIIZIIIIYY

- 0.00154067008970742 * IIIZIIIIXX

+ 0.011733623912074194 * IIIIZIIIYY

+ 0.011733623912074194 * IIIIZIIIXX

+ 0.0027757462269049522 * IIIIIZIIYY

+ 0.0027757462269049522 * IIIIIZIIXX

+ 0.0036202487558837123 * IIIIIIZIYY

+ 0.0036202487558837123 * IIIIIIZIXX

+ 0.0036202487558837123 * IIIIIIIZYY

+ 0.0036202487558837123 * IIIIIIIZXX

+ 0.005996760849734561 * IIYZYIIYZY

+ 0.005996760849734561 * IIXZXIIYZY

+ 0.005996760849734561 * IIYZYIIXZX

+ 0.005996760849734561 * IIXZXIIXZX

+ 0.004802531988356293 * IIYYIIIYZY

+ 0.004802531988356293 * IIXXIIIYZY

+ 0.004802531988356293 * IIYYIIIXZX

+ 0.004802531988356293 * IIXXIIIXZX

- 0.004879740484191497 * YZYIIIIYZY

- 0.004879740484191497 * XZXIIIIYZY

- 0.004879740484191497 * YZYIIIIXZX

- 0.004879740484191497 * XZXIIIIXZX

+ 0.005996760849734561 * IYZZYIYZZY

+ 0.005996760849734561 * IXZZXIYZZY

+ 0.005996760849734561 * IYZZYIXZZX

+ 0.005996760849734561 * IXZZXIXZZX

+ 0.004802531988356293 * IYZYIIYZZY

+ 0.004802531988356293 * IXZXIIYZZY

+ 0.004802531988356293 * IYZYIIXZZX

+ 0.004802531988356293 * IXZXIIXZZX

- 0.004879740484191497 * YYIIIIYZZY

- 0.004879740484191497 * XXIIIIYZZY

- 0.004879740484191497 * YYIIIIXZZX

- 0.004879740484191497 * XXIIIIXZZX

- 0.008373361424264817 * IIIYYYZZZY

- 0.008373361424264817 * IIIXXYZZZY

- 0.008373361424264817 * IIIYYXZZZX

- 0.008373361424264817 * IIIXXXZZZX

+ 0.0307383271773138 * YZZZYYZZZY

+ 0.0307383271773138 * XZZZXYZZZY

+ 0.0307383271773138 * YZZZYXZZZX

+ 0.0307383271773138 * XZZZXXZZZX

- 0.0077644411821215335 * YZZYIYZZZY

- 0.0077644411821215335 * XZZXIYZZZY

- 0.0077644411821215335 * YZZYIXZZZX

- 0.0077644411821215335 * XZZXIXZZZX

- 0.005949019975734247 * IIIIIYZZZY

- 0.005949019975734247 * IIIIIXZZZX

- 0.0351167704024114 * ZIIIIYZZZY

- 0.0351167704024114 * ZIIIIXZZZX

+ 0.0027298828353264134 * IZIIIYZZZY

+ 0.0027298828353264134 * IZIIIXZZZX

+ 0.0027298828353264134 * IIZIIYZZZY

+ 0.0027298828353264134 * IIZIIXZZZX

+ 0.0023679368995844726 * IIIZIYZZZY

+ 0.0023679368995844726 * IIIZIXZZZX

- 0.03305872858775587 * IIIIZYZZZY

- 0.03305872858775587 * IIIIZXZZZX

- 0.0021498576488650843 * IIIIIYIZZY

- 0.0021498576488650843 * IIIIIXIZZX

- 0.0021498576488650843 * IIIIIYZIZY

- 0.0021498576488650843 * IIIIIXZIZX

+ 0.004479074568182561 * IIIIIYZZIY

+ 0.004479074568182561 * IIIIIXZZIX

+ 0.004802531988356293 * IIYZYIIYYI

+ 0.004802531988356293 * IIXZXIIYYI

+ 0.004802531988356293 * IIYZYIIXXI

+ 0.004802531988356293 * IIXZXIIXXI

+ 0.010328819322301622 * IIYYIIIYYI

+ 0.010328819322301622 * IIXXIIIYYI

+ 0.010328819322301622 * IIYYIIIXXI

+ 0.010328819322301622 * IIXXIIIXXI

- 0.003466391848475337 * YZYIIIIYYI

- 0.003466391848475337 * XZXIIIIYYI

- 0.003466391848475337 * YZYIIIIXXI

- 0.003466391848475337 * XZXIIIIXXI

+ 0.004802531988356293 * IYZZYIYZYI

+ 0.004802531988356293 * IXZZXIYZYI

+ 0.004802531988356293 * IYZZYIXZXI

+ 0.004802531988356293 * IXZZXIXZXI

+ 0.010328819322301622 * IYZYIIYZYI

+ 0.010328819322301622 * IXZXIIYZYI

+ 0.010328819322301622 * IYZYIIXZXI

+ 0.010328819322301622 * IXZXIIXZXI

- 0.003466391848475337 * YYIIIIYZYI

- 0.003466391848475337 * XXIIIIYZYI

- 0.003466391848475337 * YYIIIIXZXI

- 0.003466391848475337 * XXIIIIXZXI

+ 0.00211113766859809 * IIIYYYZZYI

+ 0.00211113766859809 * IIIXXYZZYI

+ 0.00211113766859809 * IIIYYXZZXI

+ 0.00211113766859809 * IIIXXXZZXI

- 0.0077644411821215335 * YZZZYYZZYI

- 0.0077644411821215335 * XZZZXYZZYI

- 0.0077644411821215335 * YZZZYXZZXI

- 0.0077644411821215335 * XZZZXXZZXI

+ 0.006575744899182541 * YZZYIYZZYI

+ 0.006575744899182541 * XZZXIYZZYI

+ 0.006575744899182541 * YZZYIXZZXI

+ 0.006575744899182541 * XZZXIXZZXI

+ 0.023557442395837284 * IIIIIYZZYI

+ 0.023557442395837284 * IIIIIXZZXI

+ 0.010889407716094479 * ZIIIIYZZYI

+ 0.010889407716094479 * ZIIIIXZZXI

- 0.0003518893528389501 * IZIIIYZZYI

- 0.0003518893528389501 * IZIIIXZZXI

- 0.0003518893528389501 * IIZIIYZZYI

- 0.0003518893528389501 * IIZIIXZZXI

- 0.00901204279263803 * IIIZIYZZYI

- 0.00901204279263803 * IIIZIXZZXI

+ 0.0127339139792953 * IIIIZYZZYI

+ 0.0127339139792953 * IIIIZXZZXI

- 0.003818281201314288 * IIIIIYIZYI

- 0.003818281201314288 * IIIIIXIZXI

- 0.003818281201314288 * IIIIIYZIYI

- 0.003818281201314288 * IIIIIXZIXI

+ 0.004217284878422759 * IYYIIIYYII

+ 0.004217284878422759 * IXXIIIYYII

+ 0.004217284878422759 * IYYIIIXXII

+ 0.004217284878422759 * IXXIIIXXII

- 0.004879740484191498 * IIYZYYZYII

- 0.004879740484191498 * IIXZXYZYII

- 0.004879740484191498 * IIYZYXZXII

- 0.004879740484191498 * IIXZXXZXII

- 0.003466391848475337 * IIYYIYZYII

- 0.003466391848475337 * IIXXIYZYII

- 0.003466391848475337 * IIYYIXZXII

- 0.003466391848475337 * IIXXIXZXII

+ 0.004868302545087521 * YZYIIYZYII

+ 0.004868302545087521 * XZXIIYZYII

+ 0.004868302545087521 * YZYIIXZXII

+ 0.004868302545087521 * XZXIIXZXII

- 0.004879740484191498 * IYZZYYYIII

- 0.004879740484191498 * IXZZXYYIII

- 0.004879740484191498 * IYZZYXXIII

- 0.004879740484191498 * IXZZXXXIII

- 0.003466391848475337 * IYZYIYYIII

- 0.003466391848475337 * IXZXIYYIII

- 0.003466391848475337 * IYZYIXXIII

- 0.003466391848475337 * IXZXIXXIII

+ 0.004868302545087521 * YYIIIYYIII

+ 0.004868302545087521 * XXIIIYYIII

+ 0.004868302545087521 * YYIIIXXIII

+ 0.004868302545087521 * XXIIIXXIII

- 0.004917569762418068 * IIIYYIIIII

- 0.004917569762418068 * IIIXXIIIII

+ 0.0027757462269049522 * ZIIYYIIIII

+ 0.0027757462269049522 * ZIIXXIIIII

+ 0.0036202487558837123 * IZIYYIIIII

+ 0.0036202487558837123 * IZIXXIIIII

+ 0.0036202487558837123 * IIZYYIIIII

+ 0.0036202487558837123 * IIZXXIIIII

- 0.005949019975734285 * YZZZYIIIII

- 0.005949019975734285 * XZZZXIIIII

- 0.0021498576488650843 * YIZZYIIIII

- 0.0021498576488650843 * XIZZXIIIII

- 0.0021498576488650843 * YZIZYIIIII

- 0.0021498576488650843 * XZIZXIIIII

+ 0.004479074568182561 * YZZIYIIIII

+ 0.004479074568182561 * XZZIXIIIII

+ 0.02355744239583729 * YZZYIIIIII

+ 0.02355744239583729 * XZZXIIIIII

- 0.003818281201314288 * YIZYIIIIII

- 0.003818281201314288 * XIZXIIIIII

- 0.003818281201314288 * YZIYIIIIII

- 0.003818281201314288 * XZIXIIIIII

+ 1.0709274663656798 * IIIIIIIIII

- 0.5772920990654371 * ZIIIIIIIII

- 0.4244817531727133 * IZIIIIIIII

+ 0.06245512523136934 * ZZIIIIIIII

- 0.4244817531727134 * IIZIIIIIII

+ 0.06245512523136934 * ZIZIIIIIII

+ 0.06558452315458405 * IZZIIIIIII

- 0.3899177647415215 * IIIZIIIIII

+ 0.053929860773588405 * ZIIZIIIIII

+ 0.06022550139954594 * IZIZIIIIII

+ 0.06022550139954594 * IIZZIIIIII

+ 0.004360552555030484 * YZZYZIIIII

+ 0.004360552555030484 * XZZXZIIIII

- 0.30101532158947975 * IIIIZIIIII

+ 0.08360121967246183 * ZIIIZIIIII

+ 0.06278876343471208 * IZIIZIIIII

+ 0.06278876343471208 * IIZIZIIIII

+ 0.053621410722614865 * IIIZZIIIII

+ 0.010540187409026488 * IIIYYZIIII

+ 0.010540187409026488 * IIIXXZIIII

- 0.0351167704024114 * YZZZYZIIII

- 0.0351167704024114 * XZZZXZIIII

+ 0.010889407716094479 * YZZYIZIIII

+ 0.010889407716094479 * XZZXIZIIII

- 0.5772920990654372 * IIIIIZIIII

+ 0.11409163501020725 * ZIIIIZIIII

+ 0.06732342777645686 * IZIIIZIIII

+ 0.06732342777645686 * IIZIIZIIII

+ 0.060505605672770954 * IIIZIZIIII

+ 0.11433954684977561 * IIIIZZIIII

- 0.0011822832324725804 * IIIYYIZIII

- 0.0011822832324725804 * IIIXXIZIII

+ 0.0027298828353264134 * YZZZYIZIII

+ 0.0027298828353264134 * XZZZXIZIII

- 0.0003518893528389501 * YZZYIIZIII

- 0.0003518893528389501 * XZZXIIZIII

- 0.42448175317271336 * IIIIIIZIII

+ 0.06732342777645686 * ZIIIIIZIII

+ 0.0782363777898523 * IZIIIIZIII

+ 0.06980180803300681 * IIZIIIZIII

+ 0.07055432072184756 * IIIZIIZIII

+ 0.06878552428444665 * IIIIZIZIII

+ 0.06245512523136934 * IIIIIZZIII

- 0.0011822832324725804 * IIIYYIIZII

- 0.0011822832324725804 * IIIXXIIZII

+ 0.0027298828353264134 * YZZZYIIZII

+ 0.0027298828353264134 * XZZZXIIZII

- 0.0003518893528389501 * YZZYIIIZII

- 0.0003518893528389501 * XZZXIIIZII

- 0.42448175317271336 * IIIIIIIZII

+ 0.06732342777645686 * ZIIIIIIZII

+ 0.06980180803300681 * IZIIIIIZII

+ 0.0782363777898523 * IIZIIIIZII

+ 0.07055432072184756 * IIIZIIIZII

+ 0.06878552428444665 * IIIIZIIZII

+ 0.06245512523136934 * IIIIIZIZII

+ 0.06558452315458405 * IIIIIIZZII

- 0.00154067008970742 * IIIYYIIIZI

- 0.00154067008970742 * IIIXXIIIZI

+ 0.0023679368995844726 * YZZZYIIIZI

+ 0.0023679368995844726 * XZZZXIIIZI

- 0.00901204279263803 * YZZYIIIIZI

- 0.00901204279263803 * XZZXIIIIZI

- 0.38991776474152134 * IIIIIIIIZI

+ 0.060505605672770954 * ZIIIIIIIZI

+ 0.07055432072184756 * IZIIIIIIZI

+ 0.07055432072184756 * IIZIIIIIZI

+ 0.08470391802239534 * IIIZIIIIZI

+ 0.05665606755281972 * IIIIZIIIZI

+ 0.053929860773588405 * IIIIIZIIZI

+ 0.06022550139954594 * IIIIIIZIZI

+ 0.06022550139954594 * IIIIIIIZZI

+ 0.004360552555030484 * IIIIIYZZYZ

+ 0.004360552555030484 * IIIIIXZZXZ

+ 0.011733623912074194 * IIIYYIIIIZ

+ 0.011733623912074194 * IIIXXIIIIZ

- 0.03305872858775587 * YZZZYIIIIZ

- 0.03305872858775587 * XZZZXIIIIZ

+ 0.0127339139792953 * YZZYIIIIIZ

+ 0.0127339139792953 * XZZXIIIIIZ

- 0.30101532158947975 * IIIIIIIIIZ

+ 0.11433954684977561 * ZIIIIIIIIZ

+ 0.06878552428444665 * IZIIIIIIIZ

+ 0.06878552428444665 * IIZIIIIIIZ

+ 0.05665606755281972 * IIIZIIIIIZ

+ 0.12357087224898464 * IIIIZIIIIZ

+ 0.08360121967246183 * IIIIIZIIIZ

+ 0.06278876343471208 * IIIIIIZIIZ

+ 0.06278876343471208 * IIIIIIIZIZ

+ 0.053621410722614865 * IIIIIIIIZZ

I can’t remember seeing a Hamiltonian like this before. Is there another form this could be in? Thanks!

1 Like

These are the Pauli Strings for the Hamiltonian, but let me check with the author of the problem to see if there is another form

1 Like

There are many ways to represent the Hamiltonian, and this is one of the most common forms. May I ask what form you are most familiar with? :slight_smile:

For this problem what should be the total time of evolution at which the error must be computed?

1 Like

The Hamiltonian evolution is written as e^(iHt).

As the error is e^(-iH), use t=1

2 Likes

Hello and good afternoon! I’m trying to understand the notation of the problem. For example, the string “IIZIIIIIYY” is the Kronecker product of I * I * Z * … * Y * Y?

1 Like

Yes it is

===================

3 Likes

Most of my quantum education has been from Qiskit, and I don’t remember seeing this form. I don’t understand the YZZIYZZYI type things (Kronecker product as per @pp.dirac ?)

1 Like

Yes, it is the Kronecker product.

1 Like

Thank you very much!

Thank you very much! :slight_smile:

Do we have closed form expressions for the numerical summands?
Like pi/64 (pi/(4*sqrt(256))) or something like that?

1 Like

Correct me if I’m misunderstanding you. Are you asking for a simplified way of representing the Hamiltonian? Perhaps this paper will help with understanding the Pauli String representation, as well as the problem itself.

2 Likes

The coefficients of the Hamiltonian terms are floating-point numbers. They stem from the complex computation of integrals between electronic orbitals. We don’t have a nice analytical way to state them (e.g. pi/4, etc.).

If I misunderstood the question, please clarify.

2 Likes

No, just the numerical coefficients. Thanks for the reference though.

1 Like

Hi everyone,Please could you tell what type of mapping LiH Hamiltonian is it? JW? BK? or Parity?